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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Intermediate-Scale Hydraulic Fracturing in a Deep Mine - kISMET Project Summary 2016

In support of the U.S. DOE SubTER Crosscut initiative, we established a field test facility in a deep mine and designed and carried out in situ hydraulic fracturing experiments in the crystalline rock at the site to characterize the stress field, understand the effects of rock fabric on fracturing, and gain experience in monitoring using geophysical methods. The project also included pre- and post-fracturing simulation and analysis, laboratory measurements and experiments, and we conducted an extended analysis of the local stress state using previously collected data. Some of these activities are still ongoing. The kISMET (permeability (k) and Induced Seismicity Management for Energy Technologies) experiments meet objectives in SubTER’s “stress” pillar and the “new subsurface signals” pillar. The kISMET site was established in the West Access Drift of SURF 4850 ft (1478 m) below ground (on the 4850L) in phyllite of the Precambrian Poorman Formation. We drilled and cored five near-vertical boreholes in a line on 3 m spacing, deviating the two outermost boreholes slightly to create a five-spot pattern around the test borehole centered in the test volume at ~1528 m (5013 ft). Laboratory measurements of core from the center test borehole showed P-wave velocity heterogeneity along each core indicating strong, fine-scale (~1 cm or smaller) changes in the mechanical properties of the rock. The load-displacement record on the core suggests that the elastic stiffness is anisotropic. Tensile strength ranges between 3-7.5 MPa and 5-12 MPa. Permeability measurements are planned, as are two types of laboratory miniature hydraulic fracturing experiments to investigate the importance of rock fabric (anisotropy and heterogeneity) on near-borehole hydraulic fracture generation. Pre-fracturing numerical simulations with INL’s FALCON discrete element code predicted a fracture radius of 1.2 m for a corresponding injection volume of 1.2 L for the planned fractures, and negligible microseismicity. Field measurements of the stress field by hydraulic fracturing showed that the minimum horizontal stress at the kISMET site averages 21.7 MPa (3146 psi) pointing approximately N-S (356 degrees azimuth) and plunging slightly NNW at 12°. The vertical and horizontal maximum stress are similar in magnitude at 42-44 MPa (6090-6380 psi) for the depths of testing which averaged approximately 1530 m (5030 ft). Hydraulic fractures were remarkably uniform suggesting core-scale and larger rock fabric did not play a role in controlling fracture orientation. Monitoring using ERT and CASSM in the four monitoring boreholes, and passive seismic accelerometer-based measurements in the West Access Drift, was carried out during the generation of a larger fracture (so-called stimulation test) at a depth of 40 m below the invert. ERT was not able to detect the fracture created, nor were the accelerometers in the drift, but microseismicity was detected for first (deepest) hydraulic-fracturing stress measurement. The CASSM data have not yet been analyzed. Analytical solutions suggest fracture radius of the large fracture (stimulation test) was more than 6 m, depending on the unknown amount of leak-off. The kISMET results for stress state are consistent with large-scale mid-continent estimates of stress. Currently we are using the orientation of the stress field we determined to interpret a large number of borehole breakouts recorded in nearby boreholes at SURF to generate a more complete picture of the stress field and its variations at SURF. The efforts on the project have prompted a host of additional follow-on studies that we recommend be carried out at the kISMET site.

02 PETROLEUM↗
NASA NTRS2010

Colorimetric Solid Phase Extraction (CSPE): Using Color to Monitor Spacecraft Water Quality

In August 2009, an experimental water quality monitoring kit based on Colorimetric Solid Phase Extraction (CSPE) technology was delivered to the International Space Station (ISS). The kit, called the Colorimetric Water Quality Monitoring Kit (CWQMK), was launched as a Station Development Test Objective (SDTO) experiment to evaluate the suitability of CSPE technology for routine use monitoring water quality on the ISS. CSPE is a sorption-spectrophotometric technique that combines colorimetric reagents, solid-phase extraction, and diffuse reflectance spectroscopy to quantify trace analytes in water samples. In CSPE, a known volume of sample is metered through a membrane disk that has been impregnated with an analyte-specific colorimetric reagent and any additives required to optimize the formation of the analyte-reagent complex. As the sample flows through the membrane disk, the target analyte is selectively extracted, concentrated, and complexed. Formation of the analyte-reagent complex causes a detectable change in the color of the membrane disk that is proportional to the amount of analyte present in the sample. The analyte is then quantified by measuring the color of the membrane disk surface using a hand-held diffuse reflectance spectrophotometer (DRS). The CWQMK provides the capability to measure the ionic silver (Ag +) and molecular iodine (I2) in water samples on-orbit. These analytes were selected for the evaluation of CSPE technology because they are the biocides used in the potable water storage and distribution systems on the ISS. Biocides are added to the potable water systems on spacecraft to inhibit microbial growth. On the United States (US) segment of the ISS molecular iodine serves as the biocide, while the Russian space agency utilizes silver as a biocide in their systems. In both cases, the biocides must be maintained at a level sufficient to control bacterial growth, but low enough to avoid any negative effects on crew health. For example, the presence of high levels of iodine in water can cause taste and odor issues that result in decreased water consumption by the crew. There are also concerns about potential impacts on thyroid function following exposure to high levels of iodine. With silver, there is a risk of developing argyria, an irreversible blue-gray discoloration of the skin, associated with long term consumption of water containing high concentrations of silver. The need to ensure that safe, effective levels of biocide are maintained in the potable water systems on the ISS provides a perfect platform for evaluating the suitability of CSPE technology for in-flight water quality monitoring. This paper provides an overview of CSPE technology and details on the silver and iodine methods used in the CWQMK. It also reports results obtained during in-flight analyses performed with the CWQMK and briefly discusses other potential applications for CSPE technology in both the spacecraft and terrestrial environments.

Gazda, Daniel B.↗
DOE OSTI2018

Hydrogen Sensor for Parabolic Trough Expansion Tanks

The National Renewable Energy Laboratory and Acciona Energy North America are developing and implementing a process that addresses the issue of hydrogen buildup in parabolic trough power plants. We are pursuing a method that selectively removes hydrogen from the expansion tanks of the power plant to control hydrogen levels in the circulating heat-transfer fluid. As part of this effort, we are developing a sensor that measures hydrogen partial pressure in the expansion-tank headspace gas. During previous work, we demonstrated that our sensor design measures hydrogen levels over a wide partial pressure range from 1.33 mbar down to 0.003 mbar with an accuracy of +/-20%. We acquired these results under limited conditions because we measured hydrogen partial pressure in gas mixtures of hydrogen and nitrogen only. In this paper, we report our most recent results in which we measured hydrogen partial pressures in gas mixtures that contain hydrogen, nitrogen, biphenyl, and diphenylether. Our results for this gas mixture were essentially the same as those obtained for the hydrogen/nitrogen mixture only, and they also had the same accuracy of +/-20%. This level of accuracy is sufficient to evaluate the performance of a hydrogen mitigation process because hydrogen partial pressure in the expansion tank decreases more than an order of magnitude when the mitigation process is operating. We examined the palladium/silver membrane after completing these measurements and did not observe any signs of membrane deterioration or contamination due to exposure to biphenyl and diphenylether at 405 degrees C. The membrane for these tests was 25 um thick. For the next sensor design that we are developing in 2018, we are using a membrane that is 127 um thick. This thickness is required for the membrane to withstand the 150 psi pressure drop across the membrane when exposed to actual headspace gas from the expansion tank. We performed initial tests in which we exposed a 127-um-thick palladium alloy membrane to 400 degrees C and 150 psi pressure drop and observed no signs of failure or gas leakage. Finally, we developed a transient model that accounts for hydrogen transport mechanisms within the sensor when measurements are made. Our model accounted for hydrogen diffusion through the boundary layer that is adjacent to the membrane and for hydrogen permeation across the membrane and into the permeate volume. Our modeling results agreed very closely with our experimental data when we assumed a boundary-layer thickness of 0.2 cm. This thickness is within the range of expected thicknesses for this gas composition, temperature, and pressure at minimum flowrate. Our model results showed that hydrogen diffusion through the boundary layer adjacent to the membrane is the rate-determining step for the transient pressure response when measuring hydrogen partial pressure.

14 SOLAR ENERGY↗
DOE OSTI2017

Polarized 3He gas circulating technologies for neutron analyzers

We outline our project to develop a circulating polarized helium-3 system for developing of large, quasi-continuously operating neutron analyzers. The project consisted of four areas: 1) Development of robust external cavity narrowed diode laser output with spectral line width < 0.17 nm and power of 2000 W. 2) Development of large glass polarizing cells using cell surface treatments to obtain long relaxation lifetimes. 3) Refinements of the circulation system with an emphasis on gas purification and materials testing. 4) Design/fabrication of a new polarizer system. 5) Preliminary testing of the new polarizer. 1. Developed Robust High-Power Narrowed Laser The optical configuration of the laser was discussed in the proposal and will be reviewed in the body of this report. The external cavity is configured to mutually lock the wavelength of five 10-bar laser stacks. All the logistical milestones were been met and critical subsystems- laser stack manifold and power divider, external laser cavity, and output telescope- were assembled and tested at low power. Each individual bar is narrowed to ~0.05 nm; when combined the laser has a cumulative spectral width of 0.17 nm across the entire beam due to variations of the bars central wavelength by +/- 0.1 nm, which is similar to that of Volume Bragg Grating narrowed laser bars. This configuration eliminates the free-running “pedestal” that occurs in other external cavity diode lasers. The full-scale laser was completed in 2016 and was used in both the older and newer helium polarizers. This laser was operated at 75% power for periods of up to 8 hours. Once installed, the spectrum became slightly broader (~.25 nm) at full power; this is likely due to very slight misalignments that occurred during handling. 2. Developed the processes to create uniform sintered sol-gel coatings. Our work on cell development comprised: 1) Production of large GE180 cells and explore different means of cell preparation, and 2) Development of apply sol-gel coatings to the interior of both borosilicate and aluminosilicate cells. We applied six sol-gel coatings. By modifying the mixture and developing procedures to drain and dry the cell, we produced visually uniform coatings on the interior of the cells. We now have perfected that process as described below in our report. We were able to accelerate the testing of cells using an ex situ method that avoids installing each cell into a polarizer. In the project’s last year, we conducted 38 external tests of 8 different cells. We also installed two sol-gel coated cells in our polarizers. We created cell with long ex situ relaxation lifetimes, one of which exceeded 40 hours. However, when installed in the polarizer the measured lifetime is 8 hours or less. 3. Demonstrated cycling of polarized gas and ex situ cell testing We are now cycling polarized gas from the polarizer to glass vessels and back. This has allowed us, for the first time, to make ex situ T1 measurements of polarizing cells without installing them into the polarizer itself. This has greatly improved our productivity in producing cells and evaluating our cell preparation processes. We continued development of the gas handling system in parallel with fabricating new polarizer. The integrated system was tested by the end of 2016. We now regularly cycle gas into and out of the polarizer. 4. Completed new polarizer infrastructure and control systems. We completed the new polarizer infrastructure in November 2016. The polarizer subsystems are 1) the frame, 2) the oil flow system, 3) the gas handling system, 4) the pressure vessel, with embedded solenoid, 5) cell mounting hardware with heat spreaders, and 6) electrical power and instrumentation. 5. Carried out initial tests of polarizer. We completed initial testing of the polarizer in April and May of 2017. These tests were carried out for periods up to 6 hours with laser power between 750 and 1300 Watts. The laser performed well and the polarization with asymptotic to 45 percent, which was below expectations. This low value resulted from a stationary thermal inversion in the cell that caused most of the laser power to be absorbed near the laser inlet window and deprived the lower portions of the cell of pumping laser light. Possible solutions to this problem include enhanced cooling of the cell near the laser entry and slight detuning of the laser. 6. Ongoing work. Our polarizer development efforts are ongoing to pursue our interest in neutron analyzers, nuclear targets, and providing helium for medical imaging. Current tests in the pipeline include: 1. Testing cooling enhancements to improve laser penetration of spectrally narrow lasers; 2. Testing of a cell with isolation valves that minimizes diffusive contact with gas handling hardware during polarization; 3. Testing of smaller hybrid cells with reduced alkali loading; 4. Producing polarized helium-3 for MRI imaging at the University of Missouri.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Prompt-gamma detection towards absorbed energy monitoring during hadrontherapy

Hadrontherapy is an emerging technique which exploits the fact that a large quantity of the energy of the incident particles is deposited at the end of their flight path. This allows a conformation of the applied dose to the tumor volume and a simultaneous sparing of surrounding healthy tissue. A real-time control of the ion range during the treatment is possible via the detection of prompt secondary radiation (gamma rays or charged particles). Besides a monitoring of the ion range, the knowledge of the total energy absorbed inside the patient is also of importance for an improvement of the treatment quality. It has been shown that the ambient dose in a treatment room is correlated to the monitoring units, i.e. the number of protons of the beam delivery system. The present study consists in applying time-of-flight (TOF) information to identify prompt gamma-rays generated by interactions inside the patient which provides a direct information on the energy imparted. Results from test measurements will be given, which show that events generated in the nozzle and the target phantom can be discriminated. Furthermore, a standalone detection system is being developed which will be read out by a standard PC. The status of the developments for the corresponding electronics will be presented. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2010

Environmental Stress Testing of the Single Sample Cylinder: A Proven Consensus Standard for Internal Gas Analysis (IGA) or Residual Gas Analysis (RGA)

In August 2008, Schuessler Consulting was contracted by NASA GSFC in support of the NASA Electronic Parts and Packaging (NEPP) program to perform two separate studies on moisture laden air in a stainless steel cylinder that had been designed to become a consensus standard for Test Method 1018. This Test Method was originally released for hybrids under Mil. Std. 883 but was quickly utilized on other microelectronic devices under the auspice of Mil. Std. 750. The cylinder had subsequently been fabricated for the 750 community. It was back-filled with moist air and subsequently analyzed over a period of time under a previous NASA contract. It had been shown that moisture in the 4000 - 5000 ppm range could be analyzed rather precisely with a mass spectrometer, commonly referred to as a Residual Gas Analyzer (RGA). The scope of this study was to ascertain if the composition and precision varied as a function of thermal shock at sub-zero temperatures and whether there was consensus when the standard was submitted to other RGA units. It was demonstrated and published that the consensus standard would yield precise RGA data for moisture within +/- 1% when optimized for a given RGA unit. It has been subsequently shown in this study at Oneida Research Services, that sub-zero storage did not affect that precision when a well-defined protocol for the analysis was followed. The consensus standard was taken to a second facility for analysis where it was found that moisture adsorption on the transfer lines caused precision to drop to +/- 12%. The Single Sample Cylinder (SSC) is a one liter stainless steel cylinder with associated sampling valves and has considerable weight and volume. But this considerable size allows for approximately 300 gas samples of the same composition to be delivered to any RGA unit. Lastly, a smaller cylinder, approximately 75 cc, of a second consensus standard was fabricated and tested with a different mix of fixed gases where moisture was kept in the 100 ppm range. This second standard has the potential of providing 30 gaseous samples and can be readily shipped to any analytical facility that desires to generate comparison RGA data. A series of comparison residual gas analyses was performed at the Honeywell Federal Manufacturing & Technologies facility in the National Nuclear Facility Administration s plant in Kansas City to complete this project. It was shown that improvements in the precision of a given RGA unit can be done by controlling the cycle time for each analysis and increasing analysis temperatures to minimize moisture adsorption. It was also found that a "one time event" in the subzero storage of the large SSC did not effect the units ability to continuously supply precise samples of the same chemistry, however the "event" caused a permanent +8% shift in the reported value of the moisture content. Lastly, a set of SSC RGA results was plotted on a common graph with DSCC "correlation study" RGA data. The result demonstrates the ability of the SSC to remove many of the individual variances that single, individual samples introduce. The consensus standards are now in storage at Oneida Research Services, one of the DSCC certified houses that does RGA to Military Standards, where they await future studies. The analytical data and the operational parameters of the instruments used are provided in the following discussion. Limitations and suggested means for improvement of both precision and accuracy are provided.

Schuessler, Philipp WH↗
DOE OSTI2022

Atomic-Scale Surface Studies of Bulk Metallic Glasses. Final Report

Bulk metallic glasses (BMGs) are of both scientific and technological interest because the absence of periodic atomic arrangements provides them with unique physical, chemical, and mechanical properties. Their high strength, superior elasticity, and an ability to be easily formed into virtually unlimited shapes with feature sizes from centimeters to Angstroms by blow molding and thermoplastic forming makes them an attractive choice for more and more practical applications and products. Due to their complex internal structure, however, experiments that yield insight into their exact atomic arrangements have been scarce. As a result, glass physics is one of the last remaining unexplored fields of materials science despite the scientific and technological importance of glasses in our daily lives, and the question how to characterize and control matter away from equilibrium, as glasses are, was listed as one of five Grand Challenges in a recent DoE report. The main reason for the slow progress in glass physics is the lack of experimental tools that enable access to atomic-scale structural and behavioral information for disordered materials. Such atomic-scale knowledge is mandatory to establish structure-property relationships that ultimately could allow to custom-design alloys featuring specific desired characteristics. With no such relationships available, theory development in glass remains basic and the few that exist are often untested. The aim of this research was to enable progress in our understanding of BMGs by developing a new approach that will allow a meaningful application of local surface science methods to specially prepared BMG samples to obtain a wealth of quantitative information on their atomic arrangements. Key was the availability of specially prepared samples whose surfaces feature large atomically flat terraces despite being entirely amorphous, which we have produced from a Pt 57.5 Cu 14.7 Ni 5.3 P 22.5 alloy (‘Pt-BMG’) both under ambient conditions as well as in ultrahigh vacuum using a unique setup that has been specially developed within this grant. Our approach starts with the in-situ preparation of oxide crystals that are terminated by large terraces, from which exact mirror images out of BMG will be produced using thermoplastic forming (TPF); for the research within this grant, we have successfully used (001)-oriented SrTiO 3 single crystal surfaces as well as (100)-, (110)-, and (111)-oriented single crystals made from LaAlO 3 . Since the resulting BMG replicas display all features of the original crystal with sub-Angstrom fidelity, thereby mimicking the original crystal’s termination by atomically flat terraces without being crystalline themselves, they are ideally suited for further investigation. The following atomic-scale local studies were then carried within this proposal: (i) high-resolution surface imaging and local spectroscopy using scanning probe microscopy, which showed disordered atom-like features and revealed changes in the gradient of the local surface potential on a 1-2 nm length scale; (ii) characterization of atomic-scale plastic flow with affected volumes as low as 1000 atoms, which showed local hardness near or above the theoretically predicted maximum and, once plastic deformation was initiated, homogeneous flow of the atoms involved; (iii) characterization of surface relaxation processes and the onset of crystallization induced by annealing, which showed that upon heating over the material’s glass transition temperature, the surface rearranges and relaxes towards a more stable, denser packed glass, which increases on-terrace surface roughness, while surface tension smoothens step edges; and (iv) studies that investigate the dependence of the material’s mechanical properties and structure on processing parameters, revealing that relaxed glasses get denser, harder, and more elastic. In combination, this information allows to combine structural models with mechanical properties and preparation history, thereby facilitating the development of preparation-structure-property relationships for metallic glasses. With the availability of such information, bulk metallic glasses can be further optimized to be used in more and more applications in industry.

36 MATERIALS SCIENCE↗
NASA NTRS2007

Simulation of a Periodic Jet in a Crossflow with a RANS Solver Using an Unstructured Grid

A second-order unstructured-grid code, developed and used primarily for steady aerodynamic simulations, is applied to the synthetic jet in a cross flow. The code, FUN3D, is a vertex-centered finite-volume method originally developed by Anderson[1, 2], and is currently supported by members of the Fast Adaptive Aerospace Tools team at NASA Langley. Used primarily for design[3] and analysis[4] of steady aerodynamic configurations, FUN3D incorporates a discrete adjoint capability, and supports parallel computations using MPI. A detailed description of the FUN3D code can be found in the references given above. The code is under continuous development and contains a variety of flux splitting algorithms for the inviscid terms, two methods for computing gradients, several turbulence models, and several solution methodologies; all in varying states of development. Only the most robust and reliable components, based on experiences with steady aerodynamic simulations, were employed in this work. As applied in this work, FUN3D solves the Reynolds averaged Navier-Stokes equations using the one equation turbulence model of Spalart and Allmaras[5]. The spatial discretization is formed on unstructured meshes using a vertex-centered approach. The inviscid terms are evaluated by a flux-difference splitting formulation using least-squares reconstruction and Roe-type approximate Riemann fluxes. Green-Gauss gradient evaluations are used for viscous and turbulence modeling terms. The discrete spatial operator is combined with a backward time operator which is then solved iteratively using point or line Gauss-Seidel and local time stepping in a pseudo time. For steady flows, the physical time step is set to infinity and the pseudo time step is ramped up with the iteration count. A second-order backward in time operator is used for time accurate flows with 20 to 50 steps in the pseudo time applied at each physical time step. For this effort, FUN3D was modified to support spatially varying boundary and initial conditions, and unsteady boundary conditions. Also, a specialized in/out flow boundary condition was implemented to model the action of the diaphragm. This boundary condition is described below in more detail. The grids were generated using the internally developed codes GridEX[6] for meshing the surfaces and inviscid regions of the domain, and for CAD access; and MesherX[7] for meshing the viscous regions. Grid spacing in on the surfaces and in the inviscid regions are indirectly controlled by specifying sources. The viscous layers are generated using an advancing layer technique. MeshersX allows the user to control the spatial variation of the first step off the surface, growth rates, and the termination criterion by providing small problem dependent subroutines.

Atkins, H. L.↗
DOE OSTI2020

Pre-Ionization Controlled Laser Plasma Formation for Ignition Applications (Final Scientific/Technical Report)

This report consists of three grand funded papers. Abstracts for each follow. 1) In this work, we present experimental and modeling studies of air pre-ionization using ultraviolet (UV) laser pulses and its effect on laser breakdown of an overlapped near-infrared (NIR) pulse. Experimental studies are conducted with a 266 nm beam (fourth harmonic of Nd:YAG) for UV pre-ionization and an overlapped 1064 nm NIR beam (fundamental of Nd:YAG), both having pulse duration of 10 ns. Results show that the UV beam produces a pre-ionized volume which assists in breakdown of the NIR beam, leading to reduction in NIR breakdown threshold by factor of >2. Numerical modeling is performed to examine the ionization and breakdown of both beams. The modeled breakdown threshold of the NIR, including assist by pre-ionization, is in reasonable agreement with the experimental results. 2) The present contribution compares the energy absorption, optical emission, temperature, and fluid dynamics of ultraviolet (UV) λ = 266 nm and near infrared (NIR) λ = 1064 nm nanosecond laser induced plasmas in ambient air. For UV pulses at the conditions studied, energy absorption by the plasmas increases relatively gradually with laser pulse energy starting at delivered energy of E~8 mJ. Corresponding measurements of plasma luminosity show that the absorption of UV radiation does not necessarily result in visible plasma emission. For the NIR induced plasmas, the energy absorption profile is far more abrupt and begins at ~55 mJ. In contrast with UV, the absorption of NIR radiation is always accompanied by intense optical emission. The temperatures of both types of plasma have been measured with Rayleigh scattering thermometry (at times after the Thomson signal sufficiently diminishes). The UV plasmas can attain a wider range of temperatures, including lower temperatures, depending on the pulse energy (e.g., T ~400–2000K for E ~7–35 mJ at Δt = 10 μs after the pulse) while the NIR plasmas show only hotter temperatures (e.g., T ~ 12 000 K for E = 75 mJ at Δt = 10 μs after the pulse) as is consistent with the literature. Differences in the fluid dynamics for UV versus NIR pulses are shown with Schlieren imaging. In this work, the contrast in the UV and NIR plasma threshold behavior is attributed to differing roles of avalanche ionization and multiphoton ionization as is also illustrated by a simple numerical model. 3) The present contribution examines the impact of plasma dynamics and plasma-driven fluid dynamics on the flame growth of laser ignited mixtures and shows that a new dual-pulse scheme can be used to control the kernel formation process in ways that extend the lean ignition limit. We perform a comparative study between (conventional) single-pulse laser ignition (λ = 1064 nm) and a novel dual-pulse method based on combining an ultraviolet (UV) pre-ionization pulse (λ = 266 nm) with an overlapped near-infrared (NIR) energy addition pulse (λ = 1064 nm). We employ OH* chemiluminescence to visualize the evolution of the early flame kernel. For single-pulse laser ignition at lean conditions, the flame kernel separates through third lobe detachment, corresponding to high strain rates that extinguish the flame. In this work, we investigate the capabilities of the dual-pulse to control the plasma-driven fluid dynamics by adjusting the axial offset of the two focal points. In particular, we find there exists a beam waist offset whereby the resulting vorticity suppresses formation of the third lobe, consequently reducing flame stretch. With this approach, we demonstrate that the dual-pulse method enables reduced flame speeds (at early times), an extended lean limit, increased combustion efficiency, and decreased laser energy requirements.

Mechanical engineering↗
DOE OSTI2017

Novel volumetric method for highly repeatable injection in microchip electrophoresis

A novel injector for microchip electrophoresis (MCE) has been designed and evaluated that achieves very high repeatability of injection volume suitable for quantitative analysis. It eliminates the injection biases in electrokinetic injection and the dependence on pressure and sample properties in hydrodynamic injection. The microfluidic injector, made of poly(dimethylsiloxane) (PDMS), operates similarly to an HPLC injection valve. It contains a channel segment (chamber) with a well-defined volume that serves as an “injection loop”. Using on-chip microvalves, the chamber can be connected to the sample source during the “loading” step, and to the CE separation channel during the “injection” step. Once the valves are opened in the second state, electrophoretic potential is applied to separate the sample. For evaluation and demonstration purposes, the microinjector was connected to a 75 μm ID capillary and UV absorbance detector. For single compounds, a relative standard deviation (RSD) of peak area as low as 1.04% (n = 11) was obtained, and for compound mixtures, RSD as low as 0.40% (n = 4) was observed. Using the same microchip, the performance of this new injection technique was compared to hydrodynamic injection and found to have improved repeatability and less dependence on sample viscosity. Furthermore, a non-radioactive version of the positron-emission tomography (PET) imaging probe, FLT, was successfully separated from its known 3 structurally-similar byproducts with baseline resolution, demonstrating the potential for rapid, quantitative analysis of impurities to ensure the safety of batches of short-lived radiotracers. Both the separation efficiency and injection repeatability were found to be substantially higher when using the novel volumetric injection approach compared to electrokinetic injection (performed in the same chip). This novel microinjector provides a straightforward way to improve the performance of hydrodynamic injection and enables extremely repeatable sample volume injection in MCE. It could be used in any MCE application where volume repeatability is needed, including the quantitation of impurities in pharmaceutical or radiopharmaceutical samples.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Coupled strain-induced alpha to omega phase transformation and plastic flow in zirconium under high pressure torsion in a rotational diamond anvil cell

Strain-induced α → ω phase transformation (PT) in the zirconium (Zr) sample under compression and plastic shear in a rotational diamond anvil cell (RDAC) is investigated using the finite element method (FEM). The fields of the volume fraction of the ω phase, all components of the stress tensor, and plastic strain are presented. Before torsion, PT barely occurs. During torsion under a fixed applied force, PT initiates at the center of the sample, where the pressure first reaches the minimum pressure for strain-induced α → ω PT, p d ε , and propagates from the center to the periphery and from the symmetry plane to the contact surface. Salient increase of the shear friction stress and pressure at the center of a sample, so-called pressure self-multiplication effect observed experimentally for some other materials, is predicted here for Zr. It is caused by much higher yield strength of the phase in comparison with the phase. Except at the very center of a sample, the total contact friction stress is equal to the yield strength in shear of the mixture of phases and the plastic sliding occurs there. Due to the reduction in sample thickness and radial material flow during torsion, the ω phase can be observed in the region where pressure is lower than p d ε , which may lead to misinterpretation of the experimental data for p d ε . For the same applied force, torsion drastically promotes PT in comparison with the compression without torsion. However, the PT process in RDAC is far from optimal: (a) due to the pressure self-multiplication effect, the pressure in the transformed region is much higher than that required for PT; (b) the region in which PT occurs is limited by the pressure p d ε and cannot be expanded by increasing a shear under a fixed force; and (c) the significant reduction in thickness during torsion reduces the total mass of the high-pressure phase. These drawbacks can be overcome by placing a sample within a strong gasket with an optimized geometry. It is shown that, due to strong pressure heterogeneity, characterization of α → ω and α → β PTs based on the averaged pressure contains large errors. Furthermore, the obtained results, in addition to providing an improved understanding of the strain-induced PTs, may be beneficial for the optimum design of experiments and the extraction of material parameters, as well as optimization and control of PTs by varying the geometry and loading conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A treatment planning study to assess the feasibility of laser-driven proton therapy using a compact gantry design

Purpose: Laser-driven proton acceleration is suggested as a cost- and space-efficient alternative for future radiation therapy centers, although the properties of these beams are fairly different compared to conventionally accelerated proton beams. The laser-driven proton beam is extremely pulsed containing a very high proton number within ultrashort bunches at low bunch repetition rates of few Hz and the energy spectrum of the protons per bunch is very broad. Moreover, these laser accelerated bunches are subject to shot-to-shot fluctuations. Therefore, the aim of this study was to investigate the feasibility of a compact gantry design for laser-driven proton therapy and to determine limitations to comply with. Methods: Based on a published gantry beam line design which can filter parabolic spectra from an exponentially decaying broad initial spectrum, a treatment planning study was performed on real patient data sets. All potential parabolic spectra were fed into a treatment planning system and numerous spot scanning proton plans were calculated. To investigate limitations in the fluence per bunch, the proton number of the initial spectrum and the beam width at patient entrance were varied. A scenario where only integer shots are delivered as well as an intensity modulation from shot to shot was studied. The resulting plans were evaluated depending on their dosimetric quality and in terms of required treatment time. In addition, the influence of random shot-to-shot fluctuations on the plan quality was analyzed. Results: The study showed that clinically relevant dose distributions can be produced with the system under investigation even with integer shots. For small target volumes receiving high doses per fraction, the initial proton number per bunch must remain between 1.4 × 10{sup 8} and 8.3 × 10{sup 9} to achieve acceptable delivery times as well as plan qualities. For larger target volumes and standard doses per fraction, the initial proton number is even more restricted to stay between 1.4 × 10{sup 9} and 2.9 × 10{sup 9}. The lowest delivery time that could be reached for such a case was 16 min for a 10 Hz system. When modulating the intensity from shot to shot, the delivery time can be reduced to 6 min for this scenario. Since the shot-to-shot fluctuations are of random nature, a compensation effect can be observed, especially for higher laser shot numbers. Therefore, a fluctuation of ±30% within the proton number does not translate into a dosimetric deviation of the same size. However, for plans with short delivery times these fluctuations cannot cancel out sufficiently, even for ±10% fluctuations. Conclusions: Under the analyzed terms, it is feasible to achieve clinically relevant dose distributions with laser-driven proton beams. However, to keep the delivery times of the proton plans comparable to conventional proton plans for typical target volumes, a device is required which can modulate the bunch intensity from shot to shot. From the laser acceleration point of view, the proton number per bunch must be kept under control as well as the reproducibility of the bunches.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Toward a clinical application of ex situ boron neutron capture therapy for lung tumors at the RA-3 reactor in Argentina

Purpose: Many types of lung tumors have a very poor prognosis due to their spread in the whole organ volume. The fact that boron neutron capture therapy (BNCT) would allow for selective targeting of all the nodules regardless of their position, prompted a preclinical feasibility study of ex situ BNCT at the thermal neutron facility of RA-3 reactor in the province of Buenos Aires, Argentina. (L)-4p-dihydroxy-borylphenylalanine fructose complex (BPA-F) biodistribution studies in an adult sheep model and computational dosimetry for a human explanted lung were performed to evaluate the feasibility and the therapeutic potential of ex situ BNCT. Methods: Two kinds of boron biodistribution studies were carried out in the healthy sheep: a set of pharmacokinetic studies without lung excision, and a set that consisted of evaluation of boron concentration in the explanted and perfused lung. In order to assess the feasibility of the clinical application of ex situ BNCT at RA-3, a case of multiple lung metastases was analyzed. A detailed computational representation of the geometry of the lung was built based on a real collapsed human lung. Dosimetric calculations and dose limiting considerations were based on the experimental results from the adult sheep, and on the most suitable information published in the literature. In addition, a workable treatment plan was considered to assess the clinical application in a realistic scenario. Results: Concentration-time profiles for the normal sheep showed that the boron kinetics in blood, lung, and skin would adequately represent the boron behavior and absolute uptake expected in human tissues. Results strongly suggest that the distribution of the boron compound is spatially homogeneous in the lung. A constant lung-to-blood ratio of 1.3 ± 0.1 was observed from 80 min after the end of BPA-F infusion. The fact that this ratio remains constant during time would allow the blood boron concentration to be used as a surrogate and indirect quantification of the estimated value in the explanted healthy lung. The proposed preclinical animal model allowed for the study of the explanted lung. As expected, the boron concentration values fell as a result of the application of the preservation protocol required to preserve the lung function. The distribution of the boron concentration retention factor was obtained for healthy lung, with a mean value of 0.46 ± 0.14 consistent with that reported for metastatic colon carcinoma model in rat perfused lung. Considering the human lung model and suitable tumor control probability for lung cancer, a promising average fraction of controlled lesions higher than 85% was obtained even for a low tumor-to-normal boron concentration ratio of 2. Conclusions: This work reports for the first time data supporting the validity of the ovine model as an adequate human surrogate in terms of boron kinetics and uptake in clinically relevant tissues. Collectively, the results and analysis presented would strongly suggest that ex situ whole lung BNCT irradiation is a feasible and highly promising technique that could greatly contribute to the treatment of metastatic lung disease in those patients without extrapulmonary spread, increasing not only the expected overall survival but also the resulting quality of life.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2003

Method for printing functional protein microarrays

Piezoelectric dispensing of proteins from borosilicate glass capillaries is a popular method of protein biochip fabrication that offers the advantages of sample recovery and noncontact with the printing substrate. However, little regard has been given to the quantitative aspects of dispensing minute volumes (1 nL or less) at the low protein concentrations (20 micrograms/mL or less) typically used in microprinting. Specifically, loss of protein sample due to nonspecific adsorption to the glass surface of the dispensing capillaries can limit the amount of protein delivered to the substrate. We demonstrate the benefits of a low ionic strength buffer containing the carrier protein BSA that effectively minimizes the ionic strength-dependent phenomenon of nonspecific protein adsorption to borosilicate glass. Over the concentration range of 20-2.5 micrograms/mL, the dispensing of a reference IgG in 10 mM PBS including 0.1% BSA resulted in the deposition of 3.6- to 44-fold more IgG compared to the deposition of IgG in standard 150 mM PBS in the absence of BSA. Furthermore, when the IgG was dispensed with carrier protein, the resulting spots exhibited a more uniform morphology. In a direct immunoassay for cholera toxin, capture antibody spots dispensed in 10 mM PBS containing 0.1% BSA produced fluorescent signals that were 2.8- to 4.3-fold more intense than antibody spots that were dispensed in 150 mM PBS without BSA. Interestingly, no differences were observed in the specific activities of the capture antibodies as a result of printing in the different buffers. The implications of these results on the future development of protein biochips are discussed.

Evaluation Studies↗
DOE OSTI2019

Data Locality Enhancement of Dynamic Simulations for Exascale Computing (Final Report)

The development of modern processors exhibits two trends that complicate the optimizations of modern software. The first is the increasing sensitivity of processors' throughput to irregularities in computation. With more processors produced through a massive integration of simple cores, future systems will increasingly favor regular data-level parallel computations, but deviate from the needs of applications with complex patterns. Some evidences are already shown on Graphic Processing Units (GPU): Irregular data accesses (e.g., indirect references A[D[i]]) and conditional branches are limiting many GPU applications' performance at a level an order of magnitude lower than the peak of GPU. The second hardware trend is the growing gap between memory bandwidth and the aggregate speed—that is, the sum of all cores' computing power—of a Chip Multiprocessor (CMP). Despite the capped growth of the peak CPU speed, the aggregate speed of a CMP keeps increasing as more cores get into a single chip. It is expected that by 2018, node concurrency in an exascale system will increase by hundreds of times, whereas, memory bandwidth will expand by only 10 to 20 times. Consequently, data movement and storage is expected to consume more than 70% of the total system power. Bridging this gap is difficult; the complexities of modern CMP memory hierarchy make it even harder: Data cache becomes shared among computing units, and the sharing is often non-uniform—whether two computing units share a cache depends on their proximity and the level of the cache. On the recent IBM Power7 architecture, for instance, four hardware contexts (or SMT threads) in a core share the entire memory hierarchy, all cores in one chip share an on-chip L3 cache, and cores across chips share L3 and main memory through off-chip connections. These two trends complicate the translation of computing power into performance, especially for a program with either intensive data accesses or complex patterns in data accesses or control flow paths. Unfortunately, both attributes present and will persist in a class of important applications. For instance, many scientific simulations deal with a large volume of data. And meanwhile, as most real-world processes are non-uniform and evolving (e.g., the evolution of a galaxy or the process of a drug injection), both the computations and data accesses of these programs tend to be irregular and dynamically changing. Currently, the lack of support to these applications on modern CMP severely limits their performance. On GPU, as our recent study shows and other studies echo, performance enhancement of a factor of integers is possible when memory accesses or control flows are streamlined for a set of GPU applications. On multicore CPU, our studies show that traditional locality enhancement, for being oblivious to the new features of multicore memory hierarchy, may even cause large slowdown to data-intensive dynamic applications. The severity of the issues is expected to worsen as the two hardware trends continue. Some recent studies try to match software with the trends, but in a limited scope or manner. For irregularities on GPU, most studies focus on irregularities analyzable through static analysis (e.g., data accesses in regular loops). Dynamic irregularities are harder to address because the needed analysis and transformations typically have to happen at run time. Some other research resorts to hardware extensions, an actual adoption of which is unclear for the entailed space cost and complexity. For data locality, recent years have seen some exploitations of the new memory hierarchy on multicore for performance, but most of them are on process or thread scheduling, rather than program transformations. Our recent study reveals that program-level transformations may magnify the scheduling benefits by a factor of seven, concluding that program-level transformation should play a central role for data locality enhancement on modern CMP. But research in this direction has been sparse, and most have focused on data layout or cache performance modeling, rather than program transformations to match with the new memory hierarchy features. Overall, it is still an open question how to bridge the gap between dynamic computations and the two prominent properties of modern processors. The goal of this project is to develop a set of techniques and software tools to enhance the matching between memory accesses in dynamic simulations and the prominent features of modern and future CMP, alleviating the memory performance issues for petascale and exascale computing. This report summarizes the discoveries and products produced throughout this project. It includes free launch, a new software approach to overcoming the shortcomings of both methods; coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution; algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Supporting dynamic parallelism is important for GPU to benefit a broad range of applications. There are currently two fundamental ways for programs to exploit dynamic parallelism on GPU: a software-based approach with software-managed worklists, and a hardware-based approach through dynamic subkernel launches. Neither is satisfactory. The former is complicated to program and is often subject to some load imbalance; the latter suffers large runtime overhead. In this work, we propose free launch, a new software approach to overcoming the shortcomings of both methods. It allows programmers to use subkernel launches to express dynamic parallelism. It employs a novel compiler-based code transformation named subkernel launch removal to replace the subkernel launches with the reuse of parent threads. Coupled with an adaptive task assignment mechanism, the transformation reassigns the tasks in the subkernels to the parent threads with a good load balance. The technique requires no hardware extensions, immediately deployable on existing GPUs. It keeps the programming convenience of the subkernel launch-based approach while avoiding its large runtime overhead. Meanwhile, its superior load balancing makes it outperform manual worklist-based techniques by 3X on average. The work was published at the 48th Annual IEEE/ACM International Symposium on Microarchitecture (Micro'2015). A Graphic Processing Unit (GPU) system is typically equipped with many types of memory (e.g., global, constant, texture, shared, cache). Data placement determines what data are placed on which type of memory, essential for GPU memory performance. Prior optimizations of data placement always require a single view of a data object on memory, which limits the optimization effectiveness. In this work, we propose coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution. We demonstrate that under certain conditions, the multiple views can remain incoherent while facilitating enhanced data placement. We present a theorem and some compiler support to ensure the soundness of the usage of coherence-free multiview. We further develop reference-discerning data placement, a new way to enhance data placements on GPU. It enables more flexible data placements by using coherence-free multiview to leverage the slack in coherence requirement of some GPU programs. Experiments on three types of GPU systems show that, with less than 200KB space cost, the new data placement technique can provide a 1.6X average (up to 4.27X) speedup. In addition, we have examined algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Computing distances among data points is an essential part of many important algorithms in data analytics, graph analysis, and other domains. In each of these domains, developers have spent significant manual effort optimizing algorithms, often through novel applications of the triangle equality, in order to minimize the number of distance computations in the algorithms. In this work, we observe that many algorithms across these domains can be generalized as an instance of a generic distance-related abstraction. Based on this abstraction, we derive seven principles for correctly applying the triangular inequality to optimize distance-related algorithms. Guided by the findings, we develop Triangular OPtimizer (TOP), the first software framework that is able to automatically produce optimized algorithms that either matches or outperforms manually designed algorithms for solving distance-related problems. TOP achieves up to 237x speedups and 2.5X on average. The work has been published at the 32nd International Conference on Machine Learning (ICML'15) and the 41st International Conference on Very Large Data Bases (VLDB'15).

42 ENGINEERING↗
NASA NTRS2004

Resolving the Issues with Flywheel Position Sensors

For the past few years, the Advanced Electrical Systems Branch here at NASA Glenn has been pursuing research in the area of flywheels. The purpose of these pursuits has been t o explore the potential for flywheels to replace current battery-powered systems in space. So far it has been learned that flywheels offer large momentum storage capacity, comparatively small volume, high durability, and near- complete discharge capabilities, all of which are advancements over the existing nickel hydrogen and nickel cadmium batteries. Another significant advantage of flywheels is the potential they offer for combining the function of attitude control with energy storage. During the summer of 2004, I worked with Dr. Barbara Kenny in the Advanced Electrical Systems Branch, supporting the work she is doing by analyzing and testing some new components for the new Generation-2 flywheel. To monitor the speed and angular position of the flywheel rotor, a once-around (OAR) signal along with a sensorless algorithm is used. The OAR signal is used for the magnetic bearings that keep the flywheel suspended for frictionless operation. The sensorless algorithm is used for the flywheel motor/generator control. The OAR is generated from position sensors that monitor a circular plate. The plate has a cut down the middle such that one half of the circle is on a slightly lower level than the other. Every half-turn, or 180, the sensors detect the "cut" on the plate, and trigger the OAR, telling the computer that the rotor has made half a revolution. This, however, doesn't provide needed detailed information about the angular position of the rotor, since it only provides a signal alert every half- revolution. This is enough information for the magnetic bearing control but is insufficient for the motor/generator control. A new resolver was designed such that it would give continuous angle information rather than the 180 degree information of the OAR. The new resolver has two separate observable pieces: a flat middle section to monitor vertical motion, and an angled section around the circumference, which, when observed from above, produces a sine-wave displacement through the entire 360" revolution. My first job when I arrived this summer was to calibrate the sensors that would be mounted on the inside of the flywheel casing to monitor the position (angular and vertical) of the shaft. After calibration, I used the sensors to evaluate voltage outputs created by position differences between two pairs of sensors on the angled portion of the resolver for eight different angular positions, moving the resolver vertically and laterally through its entire potential range of motion. The results of these tests will be used to determine the rotor angular (and axial) position from the sensor readings once the new flywheel unit is assembled. The sensorless algorighm mentioned above consists of two operations: the signal injection method and the back electro-motive force (EMF). The signal injection is meant to work at low speeds, while the back EMF algorithm is meant to work at higher speeds. Both work together to determine the correct estimate of rotor position and speed based on the measured motor/generator current. It was determined that we wanted to know exactly how accurate our estimation methods were, and so a resolver (a commercially available mechanical sensor mounted to the motor/generator shaft to measure rotor position and speed) and a "Resolver to Digital" (R2D) circuit board was purchased to make the comparison to the existing estimation. My work related to the R2D board has included the following: creating two connector cables (one to power the circuit and one to get readable output off the board), writing Simulink code to process the board's output, and building a dSpace panel to control and monitor the circuit. The next step in the process will be to perform tests to compare the estimated rotor position and speed from the sensorless algorithm to the actual rotor and speed from the resolver signal.

Fehrmann, Elizabeth A.↗
DOE OSTI2021

A first principles framework to predict the transient performance of latent heat thermal energy storage

Thermal energy storage (TES) is increasingly recognized as an essential component of efficient Combined Heat and Power (CHP), Concentrated Solar Power (CSP), Heating Ventilation and Air Conditioning (HVAC), and refrigeration as it reduces peak demand while helping to manage intermittent availability of energy (e.g., from solar or wind). Latent Heat Thermal Energy Storage (LHTES) is a viable option because of its high energy storage density. Parametric analysis of LHTES in terms of dimensionless numbers is highly desired as a tool to model LHTES systems. One approach is to develop a model equation so as to minimize the error between the model and data obtained from experiments or simulations. While this approach can produce an accurate correlation applicable within the range of data used for its creation, it does not provide physical understanding of the rate-limiting process controlling the transient behavior of the device. In this paper we present an alternative approach whereby the potential rate-limiting processes are identified from first principles and then the key process is determined as a function of time as a LHTES device is charged. For example, in a simple geometry, the melt-fraction can be expected to vary linearly in time if the heat transfer rate is limited by natural convection of the phase changing material and we show it scales with the PCM Grashof number as $Gr^1_p$ and PCM Prandtl number as $Pr_p^{(1/3)}$. On the other hand, if surface area of solid PCM limits the heat transfer rate, the melt fraction increases asymptotically to reach full melting. The existence of these linear and asymptotic regions and the $Gr^1_pP r^{1/3}_p$ shape of the melt fraction curve is verified using our database of 64 simulations. Of practical importance in designing LHTES devices is the melt fraction at which the heat transfer rate ceases to be limited by convection, after which the heat storage rate deteriorates. For our geometry, this is found to be about 90%. This test case of our methodology shows the value of our approach, that predicting heat storage rate based on the rate-limiting physical phenomenon as a function of time is an effective approach to modeling LHTES devices.

25 ENERGY STORAGE↗