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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs

Precise placement of multiple functional groups in a highly ordered metal–organic framework (MOF) platform allows the tailoring of the pore environment, which is required for advanced applications. To realize this, we present a comprehensive study on the linker installation method, in which a stable MOF with coordinatively unsaturated Zr 6 clusters was employed and linkers bearing different functional groups were postsynthetically installed. Specifically, a Zr-MOF with inherent missing linker sites, namely, PCN-700, was initially constructed under kinetic control. Twelve linkers with different substituents were then designed to study their effect on MOF formation kinetics and therefore resulting MOF structures. Guided by the geometrical analysis, linkers with different lengths were installed into a parent PCN-700, giving rise to 11 new MOFs and each bearing up to three different functional groups in predefined positions. Systematic variation of the pore volume and decoration of pore environment were realized by linker installation, which resulted in synergistic effects including an enhancement of H2 adsorption capacities of up to 57%. In addition, a size-selective catalytic system for aerobic alcohol oxidation reaction is built in PCN-700 through linker installation, which shows high activity and tunable size selectivity. Altogether, these results exemplify the capability of the linker installation method in the pore environment engineering of stable MOFs with multiple functional groups, giving an unparalleled level of control.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Chemical kinetic studies of atmospheric reactions using tunable diode laser spectroscopy

IR absorption using tunable diode laser spectroscopy provides a sensitive and quantitative detection method for laboratory kinetic studies of atmospheric trace gases. Improvements in multipass cell design, real time signal processing, and computer controlled data acquisition and analysis have extended the applicability of the technique. We have developed several optical systems using off-axis resonator mirror designs which maximize path length while minimizing both the sample volume and the interference fringes inherent in conventional 'White' cells. Computerized signal processing using rapid scan (300 kHz), sweep integration with 100 percent duty cycle allows substantial noise reduction while retaining the advantages of using direct absorption for absolute absorbance measurements and simultaneous detection of multiple species. Peak heights and areas are determined by curve fitting using nonlinear least square methods. We have applied these techniques to measurements of: (1) heterogeneous uptake chemistry of atmospheric trace gases (HCl, H2O2, and N2O5) on aqueous and sulfuric acid droplets; (2) vapor pressure measurements of nitric acid and water over prototypical stratospheric aerosol (nitric acid trihydrate) surfaces; and (3) discharge flow tube kinetic studies of the HO2 radical using isotopic labeling for product channel and mechanistic analysis. Results from each of these areas demonstrate the versatility of TDL absorption spectroscopy for atmospheric chemistry applications.

Worsnop, Douglas R.↗
DOE OSTI2025

A rheological model for loose sands with insights from DEM

A rheological model for loose granular media is developed to capture both solid-like and fluid-like responses during shearing. The proposed model is built by following the mathematical structure of an extended Kelvin–Voigt model, where an elastic spring and plastic slider act in parallel to a viscous damper. This arrangement requires the partition of the total stress into rate-independent and rate-dependent stress components. To model the solid-like behavior, a simple frictional plasticity model is adopted without modifications, thus contributing to the rate-independent stress. Instead, the fluid-like or rate-dependent stress is further decomposed into deviatoric and volumetric parts, by proposing a new formulation based on a combination of the μ(I) relation, originally developed under pressure-controlled shear, with a pressure-shear rate relation derived under volume-controlled shear. The proposed formulation allows the model to capture both the increase in the friction coefficient and the enhanced dilation at high shear rates. High-fidelity simulation data, obtained from discrete element method and multiscale modelling, are used to evaluate the performance of the proposed constitutive model. The model provides accurate results under both drained and undrained simple shear paths across a wide range of shear rates. Furthermore, it successfully reproduces at much lower computational cost the flowslide mobility computed through multiscale simulations, which is primarily regulated by the shear rate dependence of the material properties during the dynamic runout stage.

Elasticity↗
DOE OSTI2020

Viscometric flow of dense granular materials under controlled pressure and shear stress

This study examines the flow of dense granular materials under external shear stress and pressure using discrete element method simulations. In this method, the material is allowed to strain along all periodic directions and adapt its solid volume fraction in response to an imbalance between the internal state of stress and the external applied stress. By systematically varying the external shear stress and pressure, the steady rheological response is simulated for: (1) rate-independent quasi-static flow; and (2) rate-dependent inertial flow. The simulated flow is viscometric with non-negligible first and second normal stress differences. While both normal stress differences are negative in inertial flows, the first normal stress difference switches from negative to slightly positive, and second normal stress difference tends to zero in quasi-static flows. The first normal stress difference emerges from a lack of coaxiality between a second-rank contact fabric tensor and strain rate tensor in the flow plane, while the second normal stress difference is linked to an excess of contacts in the shear plane compared with the vorticity direction. A general rheological model of second order (in terms of strain rate tensor) is proposed to describe the two types of flow, and the model is calibrated for various values of interparticle friction from simulations on nearly monodisperse spheres. The model incorporates normal stress differences in both regimes of flow and provides a complete viscometric description of steady dense granular flows.

42 ENGINEERING↗
DOE OSTI2018

Finite-element analysis of top-casing electric source method for imaging hydraulically active fracture zones

Imaging hydraulically active fracture zones (HAFZ) is of paramount importance to subsurface resource extraction, geologic storage, and hazardous waste disposal. We have developed advanced 3D finite-element (FE) electrical imaging algorithms for HAFZ in the presence of a steel-cased well. The algorithms use tetrahedral FE meshes in the simulation domain and coarse rectangular finite-difference meshes in the imaging domain. This heterogeneous dual-mesh approach is well suited to modeling the multiscale earth model due to steel-cased wells. We find that the algorithms accurately and efficiently simulate surface electric field measurements over a 3D HAFZ at depth when one end point of a surface electric source is connected to a wellhead. For brevity, this configuration is called the top-casing electric source method. By replacing a hollow cased well with a solid prism, we improve our computational efficiency without affecting the solution accuracy. The sensitivity of the top-casing source method to HAFZ highly depends on the continuity of a steel-cased well because it makes currents preferentially flow to HAFZ. The sensitivity also depends on conductivity structures around the well because they control current leaking from the steel-cased well. We find that the method can image a localized HAFZ and detect changes in its width and height. Here, the imaging results are improved when a volume of the imaging domain is constrained from geomechanical perspectives. A primary advantage of the method is the fact that the sources and receivers are placed on the surface, thus not interrupting the well operation.

3D↗
NASA NTRS1986

Ultrasonic measurement of porosity in casts and welds

The development of a quantitative nondestructive method which involves ultrasonic attenuation measurements in frequency domain to determine volume fraction of porosity in aluminum cast is discussed. The aluminum alloy A357 casting samples were produced at the Ohio State University Foundry with controlled porosity contents ranging from 0% to 6%. A computer controlled system was used to direct ultrasonic beam to a test sample to different places to conduct ultrasonic attenuation measurements. The plot of attenuation coefficients as a function of frequency was then evaluated based on existing theories to determine volume fraction of porosity and pore size.

Adler, L.↗
NASA NTRS1998

Mechanisms underlying very-low-frequency RR-interval oscillations in humans

BACKGROUND: Survival of post-myocardial infarction patients is related inversely to their levels of very-low-frequency (0.003 to 0.03 Hz) RR-interval variability. The physiological basis for such oscillations is unclear. In our study, we used blocking drugs to evaluate potential contributions of sympathetic and vagal mechanisms and the renin-angiotensin-aldosterone system to very-low-frequency RR-interval variability in 10 young healthy subjects. METHODS AND RESULTS: We recorded RR intervals and arterial pressures during three separate sessions, with the patient in supine and 40 degree upright tilt positions, during 20-minute frequency (0.25 Hz) and tidal volume-controlled breathing after intravenous injections: saline (control), atenolol (0.2 mg/kg, beta-adrenergic blockade), atropine sulfate (0.04 mg/kg, parasympathetic blockade), atenolol and atropine (complete autonomic blockade), and enalaprilat (0.02 mg/kg, ACE blockade). We integrated fast Fourier transform RR-interval spectral power at very low (0.003 to 0.03 Hz), low (0.05 to 0. 15 Hz), and respiratory (0.2 to 0.3 Hz) frequencies. Beta-adrenergic blockade had no significant effect on very-low- or low-frequency RR-interval power but increased respiratory frequency power 2-fold. ACE blockade had no significant effect on low or respiratory frequency RR-interval power but modestly (approximately 21%) increased very-low-frequency power in the supine (but not upright tilt) position (P<0.05). The most profound effects were exerted by parasympathetic blockade: Atropine, given alone or with atenolol, abolished nearly all RR-interval variability and decreased very-low-frequency variability by 92%. CONCLUSIONS: Although very-low-frequency heart period rhythms are influenced by the renin-angiotensin-aldosterone system, as low and respiratory frequency RR-interval rhythms, they depend primarily on the presence of parasympathetic outflow. Therefore the prognostic value of very-low-frequency heart period oscillations may derive from the fundamental importance of parasympathetic mechanisms in cardiovascular health.

Non-NASA Center↗
NASA NTRS2005

Analysis of a Free Surface Film from a Controlled Liquid Impinging Jet over a Rotating Disk Including Conjugate Effects, with and without Evaporation

A detailed analysis of the liquid film characteristics and the accompanying heat transfer of a free surface controlled liquid impinging jet onto a rotating disk are presented. The computations were run on a two-dimensional axi-symmetric Eulerian mesh while the free surface was calculated with the volume of fluid method. Flow rates between 3 and 15 1pm with rotational speeds between 50 and 200 rpm are analyzed. The effects of inlet temperature on the film thickness and heat transfer are characterized as well as evaporative effects. The conjugate heating effect is modeled, and was found to effect the heat transfer results the most at both the inner and outer edges of the heated surface. The heat transfer was enhanced with both increasing flow rate and increasing rotational speeds. When evaporative effects were modeled, the evaporation was found to increase the heat transfer at the lower flow rates the most because of a fully developed thermal field that was achieved. The evaporative effects did not significantly enhance the heat transfer at the higher flow rates.

Sankaran, Subramanian↗
DOE OSTI2015

SU-F-BRA-02: Electromagnetic Tracking in Brachytherapy as An Advanced Modality for Treatment Quality Assurance

Purpose: To present the use of Electromagnetic Tracking (EMT) for quality assurance in brachytherapy by means of phantom studies and to assess the clinical applicability of EMT during HDR breast brachytherapy. Methods: An EMT system was investigated to examine its suitability for clinical applications in brachytherapy. A field generator served as electromagnetic field emitter. Sensors (magnetic sensitive only), connected to a control unit, were used and their respective position and orientation inside a pre-defined measurement volume (500 mm cube length) determined. Up to three 6DoF sensors were placed on the phantom’s surface to obtain additional reference coordinates used to derive relative measured positions of a smaller 5DoF sensor inserted in the 6F catheters of the implant. The catheters were successively measured by manual displacement of the sensor at ∼40 mm/s. The measured catheter tracks, acquired multiple times at various locations (CT and treatment room), were smoothed, divided into intervals (2.5 mm dwell step size), registered (rigid Iterative Closest Point transformation) and compared against the known phantom geometry. Results: The reference coordinates were used to exclude the influence of external (e.g., respiratory-induced) motion. Precision tests in a clinical setting showed variances below 1 mm (translational) and 1° (rotational), respectively. Our method for catheter reconstruction preserved the length of the tracked catheter (within 1 mm). The measured tracking accuracy was 1±0.3 mm (maximum: 2 mm). The results are less accurate in environments potentially interfering with the magnetic field, e.g., in the vicinity of ferromagnetic table components. Conclusion: Our EMT system is able to perform reproducible and accurate catheter tracking and reconstruction. Currently, measurements of the implant geometry in HDR breast treatments are initiated. Online implant monitoring by means of EM tracking may be a first step towards advanced brachytherapy treatment QA. The study was financially supported by ELEKTA | Nucletron. There are no further disclosures and conflicts.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Integral Solution of Two-Region Solid–Liquid Phase Change in Annular Geometries and Application to Phase Change Materials–Air Heat Exchangers

A mathematical model based on the integral method is developed to solve the problem of conduction-controlled solid–liquid phase change in annular geometries with temperature gradients in both phases. The inner and outer boundaries of the annulus were subject to convective, constant temperature or adiabatic boundary conditions. The developed model was validated by comparison with control volume-based computational results using the temperature-transforming phase change model, and an excellent agreement was achieved. The model was used to conduct parametric studies on the effect of annuli geometry, thermophysical properties of the phase change materials (PCM), and thermal boundary conditions on the dynamics of phase change. For an initially liquid PCM, it was found that increasing the radii ratio increased the total solidification time. Also, increasing the Biot number at the cooled (heated) boundary and Stefan number of the solid (liquid) PCM, decreased (increased) the solidification time and resulted in a greater (smaller) solid volume fraction at steady state. The application of the developed method was demonstrated by design and analysis of a PCM–air heat exchanger for HVAC systems. The model can also be easily employed for design and optimization of annular PCM systems for all associated applications in a fraction of time needed for computational simulations.

Shabgard, Hamidreza↗
NASA NTRS1986

A method of variable spacing for controlled plant growth systems in spaceflight and terrestrial agriculture applications

A higher plant growth system for Controlled Ecological Life Support System (CELSS) applications is described. The system permits independent movement of individual plants during growth. Enclosed within variable geometry growth chambers, the system allocates only the volume required by the growing plants. This variable spacing system maintains isolation between root and shoot environments, providing individual control for optimal growth. The advantages of the system for hydroponic and aeroponic growth chambers are discussed. Two applications are presented: (1) the growth of soybeans in a space station common module, and (2) in a terrestrial city greenhouse.

Knox, J.↗
DOE OSTI2024

Salt‐Assisted Vapor–Liquid–Solid Growth of 1D van der Waals Materials

The method of salt-assisted vapor–liquid–solid (VLS) growth is introduced to synthesize 1D nanostructures of trichalcogenide van der Waals (vdW) materials, exemplified by niobium trisulfide (NbS 3 ). The method uses a unique catalyst consisting of an alloy of Au and an alkali metal halide (NaCl) to enable rapid and directional growth. High yields of two types of NbS 3 1D nanostructures, nanowires and nanoribbons, each with sub-ten nanometer diameter, tens of micrometers length, and distinct 1D morphology and growth orientation are demonstrated. Strategies to control the location, size, and morphology of growth, and extend the growth method to synthesize other transition metal trichalcogenides, NbSe 3 and TiS 3 , as nanowires are demonstrated. Finally, the role of the Au–NaCl alloy catalyst in guiding VLS synthesis is described and the growth mechanism based on the relationships measured between structure (growth orientation, morphology, and dimensions) and growth conditions (catalyst volume and growth time) is discussed. These results introduce opportunities to expand the library of emerging 1D vdW materials to make use of their unique properties through controlled growth at nanoscale dimensions.

1D van der Waals material↗
DOE OSTI2016

Oxygen and Perfusion Kinetics in Response to Fractionated Radiation Therapy in FaDu Head and Neck Cancer Xenografts Are Related to Treatment Outcome

Purpose: To test whether oxygenation kinetics correlate with the likelihood for local tumor control after fractionated radiation therapy. Methods and Materials: We used diffuse reflectance spectroscopy to noninvasively measure tumor vascular oxygenation and total hemoglobin concentration associated with radiation therapy of 5 daily fractions (7.5, 9, or 13.5 Gy/d) in FaDu xenografts. Spectroscopy measurements were obtained immediately before each daily radiation fraction and during the week after radiation therapy. Oxygen saturation and total hemoglobin concentration were computed using an inverse Monte Carlo model. Results: First, oxygenation kinetics during and after radiation therapy, but before tumor volumes changed, were associated with local tumor control. Locally controlled tumors exhibited significantly faster increases in oxygenation after radiation therapy (days 12-15) compared with tumors that recurred locally. Second, within the group of tumors that recurred, faster increases in oxygenation during radiation therapy (day 3-5 interval) were correlated with earlier recurrence times. An area of 0.74 under the receiver operating characteristic curve was achieved when classifying the local control tumors from all irradiated tumors using the oxygen kinetics with a logistic regression model. Third, the rate of increase in oxygenation was radiation dose dependent. Radiation doses ≤9.5 Gy/d did not initiate an increase in oxygenation, whereas 13.5 Gy/d triggered significant increases in oxygenation during and after radiation therapy. Conclusions: Additional confirmation is required in other tumor models, but these results suggest that monitoring tumor oxygenation kinetics could aid in the prediction of local tumor control after radiation therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS2014

A Comparison of Thruster Implementation Strategies for a Deep Space Nanosatellite

Attitude control for very small spacecraft, commonly referred to as nanosatellites or CubeSats, has traditionally been carried out using reaction wheels and magnetic torquers as the primary actuators. However, as these spacecraft begin to be considered for a broader range of scientific applications, including some beyond low Earth orbit, it has become necessary to also consider thruster systems for actuation. In recent years a number of thruster designs that conform to the mass, volume, and power constraints of nanosatellites have become commercially available, including cold gas systems, pulsed plasma thrusters (PPTs), and micro-electrospray propulsion (MEP) systems. The challenge now facing the nanosatellite community is to determine which thruster solutions are appropriate for a particular application, and what the best method of control might be. This paper will compare the implementation of a cold gas system with that of an MEP or PPT system for an upcoming nanosatellite mission using a previously reported saturation-restricted control law. Results are presented for this controller both with and without a fuel-optimal thruster allocation scheme, and an assessment on incorporating these technologies in an upcoming NASA mission is offered.

Nehrenz, Matt↗
DOE OSTI2016

High-Dose Hypofractionated Radiation Therapy for Noncompressive Vertebral Metastases in Combination With Zoledronate: A Phase 1 Study

Introduction: Hypofractionated stereotactic radiation therapy (HSRT) for vertebral metastases gives good results in terms of local control but increases the risk of fracture in the treated volume. Preclinical and clinical studies have shown that zoledronate not only reduces the risk of fracture and stimulates osteoclastic remodeling but also increases the immune response and radiosensitivity. This study aimed to evaluate the tolerability and effectiveness of zoledronate in association with radiation therapy. Patients and Methods: We conducted a multicenter phase 1 study that combined HSRT (3 × 9 Gy) and zoledronate in patients with vertebral metastasis ( (NCT01219790)). The principal objective was the absence of spinal cord adverse reactions at 1 year. The secondary objectives were acute tolerability, the presentation of a bone event, local tumor control, pain control, progression-free survival, and overall survival. Results: Thirty patients (25 male, 5 female), median age 66 years, who were followed up for a median period of 19.2 months, received treatment for 49 vertebral metastases. A grade 3 acute mucosal adverse event occurred in 1 patient during the treatment and in 2 more at 1 month. No late neurologic adverse events were reported at 1 year. The mean pain scores diminished significantly at 1 month (1.35; P=.0125) and 3 months (0.77; P<.0001) compared with pain scores at study entry (2.49). Vertebral collapse in the irradiated zone occurred in 1 (2%) treated vertebra. Control of local disease was achieved in 94% of irradiated patients (3 local recurrences). Conclusion: The combination of zoledronate and HSRT in the treatment of vertebral metastasis is well tolerated and seems to reduce the rate of vertebral collapse, effectively relieve pain, and achieve good local tumor control with no late neurologic adverse effects.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Control rod treatment for FEM based radiation transport methods

This paper presents a novel control rod treatment for finite element method (FEM) based reactor physics simulations. The new method falls into the class of homogenization methods which treat material interfaces within mesh elements by defining a representative, homogenized nuclear cross section set. In contrast to existing homogenization based cusping treatments that attempt to approximate flux-volume weighting of the cross sections, we propose to exactly integrate terms appearing in the variational form of the transport or diffusion equation over mixed material elements. This goal is achieved by defining smoothly varying cross sections in elements that straddle material boundaries. It is shown that the smoothly varying cross sections can be obtained by projecting the piecewise set of cross sections onto the set of Legendre polynomials up to a finite order. Implementation of smoothly varying cross sections is supported within the Rattlesnake radiation multiphysics code that is currently under development at the Idaho National Laboratory. Homogenization methods traditionally suffer from cusping effects that originate from overestimation of absorption cross sections in strongly neutron-absorbing materials as found in control rods. We demonstrate that the presented method is (1) highly effective in removing cusping effects and (2) provides accurate results based on the C5G7-TD benchmark, a time-dependent version of the C5G7 benchmark.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

High-throughput continuous flow synthesis of nickel nanoparticles for the catalytic hydrodeoxygenation of guaiacol

The translation of batch chemistries to high-throughput continuous flow methods dresses scaling, automation, and reproducibility concerns associated with the implementation of colloidally prepared nanoparticle (NP) catalysts for industrial catalytic processes. Nickel NPs were synthesized by the high-temperature amine reduction of a Ni2+ precursor using a continuous millifluidic (mF) flow method, achieving yields greater than 60%. The resulting Ni NP catalysts were compared against catalysts prepared in a batch reaction under conditions analogous to the continuous flow conditions with respect to total reaction volume, time, and temperature and by traditional incipient wetness (IW) impregnation for the hydrodeoxygenation (HDO) of guaiacol under ex situ catalytic fast pyrolysis conditions. Compared to the IW method, the colloidally prepared NPs displayed increased morphological control and narrowed size distributions, and the NPs prepared by both methods showed similar size, shape, and crystallinity. The Ni NP catalyst synthesized by the continuous flow method exhibited similar H-adsorption site densities, site-time yields, and selectivities towards deoxygenated products as compared to the analogous batch reaction, and outperformed the IW catalyst with respect to higher selectivity to lower oxygen content products and a 6.9-fold slower deactivation rate. These results demonstrate the utility of synthesizing colloidal Ni NP catalysts using continuous flow methods while maintaining the catalytic properties displayed by the batch equivalent. Finally, this methodology can be extended to other catalytically relevant base metals for the high-throughput synthesis of metal NPs for the catalytic production of biofuels.

09 BIOMASS FUELS↗
DOE OSTI2022

Laser 3D printing of highly compacted protonic ceramic electrolyzer stack

Solid oxide electrolysis cells (SOECs) for H 2 production is a core technology for H2@scale. However, its conventional manufacturing methods adapted from the manufacture of solid oxide fuel cells (SOFC) need high cost, especially for small-volume production. The emerging laser 3D printing (L3DP) technology with computer-aided 3D printing and computer-controlled laser processing can fulfill layer-by-layer digital shaping and rapid in-situ consolidating feedstock into complicated geometries. L3DP, a promising additive manufacturing (AM) technology, has achieved significant success in manufacturing plastic and metal parts, which is currently attracting considerable attention for the cost-effective, rapid, and flexible manufacturing of heterogeneous multilayered ceramic devices (e.g., SOECs, SOFCs, and solid-state batteries). It is believed that the L3DP can integrate the advantages of selective consolidation of heterogeneous layers, accurate control of layer microstructures, high processing heat efficiency, high processing speed, high stack compactness, high stack design flexibility, and low stack sealing area for cost-effective, rapid, and flexible manufacturing of SOECs to meet DOE’s electrolyzer target.

08 HYDROGEN↗