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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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DOE OSTI2024

Performance Analysis of Phase 2 Tracker Upgrade Ps Module before and after Irradiation

The Large Hadron Collider will undergo a luminosity upgrade targeting a peak instantaneous luminosity ranging from 5–7.5×1034 cm−2s−1. The ambitious goal of the High Luminosity LHC is to achieve a total of 3000–4000 fb−1 of proton-proton collisions at a center-of-mass energy of 13–14 TeV by 2029. To cope with such challenging environmental conditions, the outer tracker of the CMS experiment will be upgraded using closely spaced silicon sensors (pixels and strips) to provide tracking information at the Level-1 trigger. A PS-Module, composed of both a pixel and a strip sensor, was tested at the Fermilab Test-Beam Facility to evaluate its ability to provide accurate tracking information, Pt discrimination capabilities, and optimal performance at the irradiation levels expected after being exposed to the harsh conditions of the High Luminosity LHC. The results of the test and the comparison of the module performance before and after irradiation will be presented in this poster

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Effects on Glass Forming Ability, Microstructure, Crystallization Behaviors, and Magnetic Properties of Si Substituting for P in Fe-Rich Fe{sub 86}B{sub 13−x}Si{sub x}P{sub 1}Cu{sub 0.6}Hf{sub 0.4} Alloys

In the paper, we have studied the effects on glass forming ability (GFA), microstructure, crystallization behaviors, and saturation magnetization (M{sub s}) of Si substitution for P in Fe-rich Fe{sub 86}B{sub 12}Si{sub x}P{sub 1−x}Cu{sub 0.4}Hf{sub 0.6} alloys. The amorphous structure is identified by X-ray diffraction first, and the patterns with Si addition less than x = 0.75 only show one halo scattering peak at 2θ = 45°; further, the ribbons with entirely amorphous structure have been fabricated successfully and the alloys have a good GFA. Then, by differential scanning calorimetry testing, the curves show two separated exothermic peaks and the ribbons will go through a two-step crystallization before reaching stable state; further, the first peak is ensured by the crystallization of a-Fe phase while the second peak is ensured by the precipitation of FeB or Fe(BP) compounds. As Si was added, the apparent activation energy of the first crystallization (E{sub a1}) and the second crystallization (E{sub a2}) shows an increased tendency first and then decreases slightly. By comparison, as x = 0, x = 0.25, and x = 0.5, the ribbons easily form Hf{sub 3}P{sub 2} compounds during the first crystallization process simultaneously, where the ribbons of x = 0.75 and x = 1.0 are easier to finish the first crystallization for forming the uniform a-Fe phase entirely. By vibrating sample magnetometer testing, with the addition of Si, M{sub s} value shows an increased trend and reaches to the maximum about 177.5 emu/g (x = 1.0), and which shows an increased trend in the subsequent annealing process and reaches to the maximum 206.3 emu/g (x = 0), 212.3 emu/g (x = 0.25), 214.2 emu/g (x = 0.5), 214.9 emu/g (x = 0.75), and 208.3 emu/g (x = 1.0) as the annealing temperature higher than T{sub p1} but less than T{sub x2}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Single-shot Z eff dense plasma diagnostic through simultaneous refraction and attenuation measurements with a Talbot–Lau x-ray moiré deflectometer

The Talbot–Lau x-ray moiré deflectometer is a powerful plasma diagnostic capable of delivering simultaneous refraction and attenuation information through the accurate detection of x-ray phase shift and intensity. The diagnostic can provide the index of refraction n = 1 - δ + iβ of an object (dense plasma, for example) placed in the x-ray beam by independently measuring both δ and β, which are directly related to the electron density ne and the attenuation coefficient μ, respectively. Since δ and β depend on the effective atomic number Z eff , a map can be obtained from the ratio between phase and absorption images acquired in a single shot. The Talbot–Lau x-ray moiré deflectometer and its corresponding data acquisition and processing are briefly described to illustrate how the above is achieved; Z eff values of test objects within the 4–12 range were obtained experimentally through simultaneous refraction and attenuation measurements. We show that Z eff mapping of objects does not require previous knowledge of sample length or shape. The determination of Z eff from refraction and attenuation measurements with Moiré deflectometry could be of high interest to various domains of HED research, such as shocked materials and ICF experiments, as well as material science and NDT.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Development of Tunable, Precision Permanent Magnet Phase Shifter for X-Ray FEL

In an X-ray free-electron laser (XFEL), a high quality relativistic electron beam from a linear accelerator traverses an array of undulator magnets to generate a high power X-ray beam by allowing the FEL to reach saturation. In many XFELs, phase shifters haven’t been commonly used or included in their designs. The importance of the phase shifter was recognized only recently. A phase shifter can be constructed using either an electromagnet (EM) or a permanent magnet (PM). EM phase shifters are heavy, complex to operate, and take more valuable longitudinal space between the undulators. Compared to EMs, the PMs have several outstanding advantages, including compactness, lighter weights, simple operation, and low maintenance. This project has developed an innovative design of fixed-gap, tunable PM-based compact phase shifter for the XFEL. While keeping the poles and gap fixed, the new design incorporates proven features from the prior work, along with novel field tuning methods, which allow the field strength to be adjusted within a reasonably large range to achieve the desired range of the phase delay control. The PM design without electric currents and power electronics associated with EMs improves reliability by reducing the number of possible points of failure and lowers the operation cost. The compactness makes it possible to use PM phase shifters in the existing XFELs with small gaps between adjacent undulators, as well as in the new XFELs without significantly increasing the FEL length. In Phase I we have accomplished the followings; 1) determined the optimum physics parameters for both weak and strong phase shifters; 2) conducted magnetic design with concrete magnetic and geometrical parameters of actual produced PM materials; 3) provided solutions to achieve precision fine tuning of the magnetic fields with unique methods; 4) elaborated a design based upon ease of manufacturing and cost analysis; and 5) produced rare-earth PM materials, which will be used for prototyping in Phase II. The phase I results provide a foundation for the research and development in the Phase II project, which will aim at building two full-size PM phase shifters and testing at SLAC National Accelerator Laboratory. This project will significantly provide the potential to bring a paradigm change in accelerator technology, replacing conventional electromagnets for many existing accelerator applications and allowing the development of new applications in completely new areas. For example, the PM FEL phase shifters can help significantly improve coherence and power of an XFEL. The proposed use of PM phase shifters will also bring significant cost savings to the construction, operation and maintenance of FEL facilities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Solar Steam on Demand

INTRODUCTION: This Report summarizes the research and development project performed by Sunvapor and the subrecipient National Renewable Energy Laboratory (NREL) during the period of 10/01/2018-9/30/2021. The work was aimed at the economic integration of solar steam with an industrial process, and in particular, the advantages that a novel type of thermal energy storage and collector design could bring to the system. The completed work includes experimental research on the storage material, design of the collector, engineering of a complete solar steam plant, and economic analysis. The plant was, in the end, not constructed, due to COVID-19 impacts to the project host. PURPOSE: The purpose of the project was to test the hypothesis that a levelized cost of heat (LCOH) of 2¢/kWh delivered to a steam-consuming process, including energy discharged from storage, could be feasibly achieved. PROJECT OBJECTIVES: For Budget Period 1 our objectives were to engineer a prototype industrial solar steam generation system, and design and test a Latent Heat Energy Storage (LHES) lab-scale system. For Budget Period 2 our objectives were to construct and test the solar steam prototype plant, and to build and factory-test a full LHES module. For Budget Period 3 our objective was to integrate the storage module with the solar steam generator, show successful long duration energy tests of the combined system, and use the results to project the LCOH of delivered steam to a second-generation plant. PROJECT OUTCOMES: Various phase change materials (PCMs) for the LHES were tested for compatibility with industrial steam uses as measured by phase change temperature, stability of latent heat of fusion, and their corrosive effects on steel (the heat exchanger material). Two of these materials (sodium formate and sodium/ potassium) showed potential to meet the technical criteria. The estimated cost of a complete LHES module with these materials did not meet economic targets. The developmental collector design builds from previous work to exploit the potential cost advantages of a spaceframe of lumber construction. Design improvements were achieved in assembly efficiency and structural performance. A complete engineering package was completed for the solar steam system without storage that included the developmental as well as commercial arrays. The plant was permitted for construction. The storage CAPEX for a reference plant was estimate to be greater than $\$ 57$/kWh. The LCOH of the system without storage and with developmental collectors of lumber construction was projected to be 2¢/kWh, assuming a FCR of 8.2% over thirty years. PROJECT MILESTONES: The Milestones fully achieved in the first Budget Period includes obtaining a Letter of Intent from an industrial steam-consuming project host, issuance of a construction permit, and corrosion resistance. The Milestone that was partly achieved was the degradation in the latent heat of fusion. Milestones associated with Budget Periods 2 and 3, related to the construction and operation of the plant were not achieved as a result of the host shutting down the plant due to COVID-19 impacts. CONCLUSIONS: Sunvapor was able to secure an agreement with a host to build a fully engineered and permitted solar steam plant that met the host’s economic goals. As a basis for comparison, the solar field design was comprised of eight commercial collector arrays and one developmental Green Parabolic Trough Collector (GPTC) array. The projected LCOH with a solar field entirely populated with a second generation GPTC met the goal of 2¢/kWh. The experimental program concerning the PCM indicated the feasibility of meeting their technical requirements for industrial steam uses. The cost of the complete LHES exceeded its $\$ 14$/kWh target, and therefore the inclusion of LHES could not be economically justified. Due to COVID-19 impacts on the host, the solar steam plant was not constructed.

14 SOLAR ENERGY↗
DOE OSTI2015

Catalyst-Based Nonchemical Water Treatment System Frank E. Moss US Courthouse Salt Lake City, Utah

In 2012 and 2013, the US General Services Administration (GSA) and Oak Ridge National Laboratory conducted an evaluation of a novel nonchemical water treatment (NCWT) system at the Frank E. Moss US Courthouse in Salt Lake City, Utah. This system purports to use a proprietary metallic catalyst to change the water’s chemistry such that hard calcite does not form on surfaces that are in contact with the water. The catalyst-based NCWT system was installed on an electric domestic water heater in the courthouse. 1 This water heater had been experiencing severe calcite buildup on the heating elements. The calcite buildup impeded heat transfer from the heating elements into the domestic water, leading to the thermostat being set excessively high in an attempt to maintain the water temperature. This caused excess heat to build up on the elements, resulting in their premature failure which required frequent replacement. The buildup also required the elements to stay energized constantly to produce enough heat to maintain temperature in the domestic hot water system. After installing the catalyst-based NCWT system, calcite buildup was dramatically reduced and failure of the elements ceased. Labor and material savings from not having to replace the elements ($\$$1,060/year) allow for less than a two-year simple payback when compared to the installed cost of the system ($\$$1,692) plus minimal annual maintenance ($\$$100/year). The catalyst-based NCWT system should be considered for deployment in any heating system that is subject to calcification, including hydronic heating systems and boilers, condensing boilers, gas water heaters, and electric water heaters. Had the catalyst-based NCWT technology not been installed on the water heater, a conventional salt-based calcite prevention system would have provided the same prevention of calcite buildup. The budget installed cost of such a system would have been $\$$3,200 plus $\$$350/year in chemicals and $\$$1,500/year labor to service the chemicals. Comparing the conventional to the catalyst-based system, the latter has both a lower installed cost and annual operating cost. The original test plan was to install the technology on both the domestic water heating system and on the site’s cooling tower, which had faced calcite issues in its history. This tower has had a calcite buildup problem that is currently being addressed with a salt-based treatment system. The project’s timeline did not allow for installing a system and testing it on the tower during the initial phase of this project in 2012 and 2013. A preliminary economic analysis was performed to estimate the installed cost and potential savings on the cooling tower. If installed on the site’s cooling tower, the installed cost of the catalyst-based system would be more expensive than the salt-based system ($\$$32,380 vs. $\$$2,700 for the salt-based). However, the salt-based system requires $\$$900/year in chemicals and $\$$3,900/year in labor, neither of which is needed by the catalyst based system. This would give a simple payback of less than seven years using the technology on a cooling tower.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A scalable geometric multigrid solver for nonsymmetric elliptic systems with application to variable-density flows

A geometric multigrid algorithm is introduced for solving nonsymmetric linear systems resulting from the discretization of the variable density Navier–Stokes equations on nonuniform structured rectilinear grids and high-Reynolds number flows. The restriction operation is defined such that the resulting system on the coarser grids is symmetric, thereby allowing for the use of efficient smoother algorithms. To achieve an optimal rate of convergence, the sequence of interpolation and restriction operations are determined through a dynamic procedure. A parallel partitioning strategy is introduced to minimize communication while maintaining the load balance between all processors. To test the proposed algorithm, we consider two cases: 1) homogeneous isotropic turbulence discretized on uniform grids and 2) turbulent duct flow discretized on stretched grids. Testing the algorithm on systems with up to a billion unknowns shows that the cost varies linearly with the number of unknowns. This O (N) behavior confirms the robustness of the proposed multigrid method regarding ill-conditioning of large systems characteristic of multiscale high-Reynolds number turbulent flows. The robustness of our method to density variations is established by considering cases where density varies sharply in space by a factor of up to 104, showing its applicability to two-phase flow problems. Strong and weak scalability studies are carried out, employing up to 30,000 processors, to examine the parallel performance of our implementation. Excellent scalability of our solver is shown for a granularity as low as 104 to 105 unknowns per processor. At its tested peak throughput, it solves approximately 4 billion unknowns per second employing over 16,000 processors with a parallel efficiency higher than 50%.

Computer Science↗
DOE OSTI2018

Effect of Mn addition on deformation behaviour of 23% Cr low nickel duplex stainless steel

Highlights: • Increasing Mn content obviously affects dynamic softening behaviour of flow curves. • More complete austenite DRX occurred with middle Mn addition of 10.3% at 1 s{sup −1}. • The constitutive equations for different Mn addition alloys are developed. • The values of activation energy and Z parameter are lowest with middle Mn addition. • Different Mn addition processing maps with increasing strain were established. - Abstract: Isothermal compression testing of 23% Cr low nickel duplex stainless steels, with different Mn concentrations, was investigated in the temperature range of 1173–1423 K, the strain rate range of 0.01–10 s{sup −1} and with a height reduction of 70%. Increasing the Mn content from 6.3 to 14.1% affected the deformation dynamic softening behaviour of flow curves at lower temperature and higher strain rate. It was also observed that increasing the deformation stain rate contributed to flow softening, and was caused by dynamic recrystallization (DRX) as a function of Mn addition. Deformation microstructure analysis demonstrated that more complete austenite phase DRX occurred with 10.3% Mn addition than that with 6.3% Mn addition at 1 s{sup −1}, but an excessive Mn content of 14.1% was unfavourable due to the increase of austenite fraction and stacking fault energy enhancement. Increasing the strain rate to 10 s{sup −1} promoted austenite phase DRX at 1323 K with the Mn addition under large strain. Meanwhile, the ferrite phase DRX occurred at 1173 K/1–10 s{sup −1} with 6.3% Mn, and was weakened with higher Mn addition. Compared to the 6.3% and 14.1% Mn, continuous DRX occurred at 1323 K/1 s{sup −1} with 10.3% Mn, due to the larger fraction of high angle misorientations. The values for the activation energy and Zener–Hollomon parameter decreased with Mn addition from 6.3 to 10.3%, and then increased with a higher Mn addition of 14.1%, indicating that a proper content of Mn addition can reduce the thermal deformation resistance and promote DRX. The constitutive equations for different Mn addition alloys were developed using a hyperbolic sine equation. Processing maps with different Mn addition for the strains of 0.3, 0.6 and 1.2 were established. The 10.3% Mn content sample corresponded to the lowest instability region, implying that the workability was improved with the middle Mn addition.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Hydrogen production via reforming of biogas over nanostructured Ni/Y catalyst: Effect of ultrasound irradiation and Ni-content on catalyst properties and performance

Highlights: • Synthesis of nanostructured Ni/Y catalyst by sonochemical and impregnation methods. • Enhancement of size distribution and active phase dispersion by employing sonochemical method. • Evaluation of biogas reforming over Ni/Y catalyst with different Ni-loadings. • Preparation of highly active and stable catalyst with low Ni content for biogas reforming. • Getting H{sub 2}/CO very close to equilibrium ratio by employing sonochemical method. - Abstract: The effect of ultrasound irradiation and various Ni-loadings on dispersion of active phase over zeolite Y were evaluated in biogas reforming for hydrogen production. X-ray diffraction, field emission scanning electron microscopy, energy dispersive X-ray, Brunauer–Emmett–Teller, Fourier transform infrared analysis and TEM analysis were employed to observe the characteristics of nanostructured catalysts. The characterizations implied that utilization of ultrasound irradiation enhanced catalyst physicochemical properties including high dispersion of Ni on support, smallest particles size and high catalyst surface area. The reforming reactions were carried out at GHSV = 24 l/g.h, P = 1 atm, CH{sub 4}/CO{sub 2} = 1 and temperature range of 550–850 °C. Activity test displayed that ultrasound irradiated Ni(5 wt.%)/Y had the best performance and the activity remained stable during 600 min. Furthermore, the proposed reaction mechanism showed that there are three major reaction channels in biogas reforming.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Interfacial reactions and wetting in Al-Mg sintered by powder metallurgy process

Was conducted to analyze the effect of temperature variation on the bonding interface sintered composite Al-Mg and analyze the effect of variations of the density and hardness sinter. Research carried out by the base material powders of Al, Mg powder and solvent n-butanol. The method used in this study is a powder metallurgy, with a composition of 60% volume fraction of Al - 40% Mg. Al-Mg mixing with n-butanol for 1 hour at 500 rpm. Then the emphasis (cold comression) with a size of 1.4 cm in diameter dies and height of 2.8 cm, is pressed with a force of 20 MPa and held for 15 minutes. After the sample into pellets, then sintered at various temperatures 300 °C, 350 °C, 400 °C and 450 °C. Characterization is done by using the testing green density, sintered density, X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), vickers microhardness, and press test. XRD data analysis done by using X’Pert High Score Plus (HSP) to determine whether there is a new phase is formed. Test results show that the sintered density increasing sintering temperature, the resulting density is also increasing (shrinkage). However, at a temperature of 450 °C decreased (swelling). With the increased sinter density, interfacial bonding getting Kuta and more compact so that its hardness is also increased. From the test results of SEM / EDX, there Mg into Al in the border area. At temperatures of 300 °C, 350 °C, 400 °C, the phase formed is Al, Mg and MgO. While phase is formed at a temperature of 450 °C is aluminum magnesium (Al{sub 3}Mg{sub 2}), Aluminum Magnesium Zinc (AlMg{sub 2}Zn).

36 MATERIALS SCIENCE↗
DOE OSTI2016

Evaluation of hybrid sol-gel incorporated with nanoparticles as nano paint

A coating with self-cleaning characteristics has been developed using a TiO{sub 2}/SiO{sub 2} hybrid sol-gel, TiO{sub 2} nanoparticles and organosilicate nanoparticles (OSNP). A patented technology of the hybrid sol-gel and OSNP was combined with TiO{sub 2} nanoparticles to create the surface chemistry for self-cleaning. Two synthesis methods have been developed to prepare TiO{sub 2} nanoparticles (NPs), resulting in the enhancement of local paint by the addition of anatase and rutile TiO{sub 2} phases. The NPs size as determined by Dynamic Light Scattering (DLS) ranges within of (3-4) and (20-42) nm, which was also confirmed by Scanning Electron Microscopy (SEM). The nanoparticles showed surface charge (zeta-potential, ζ) of +35 and +25.62 mV for the methods, respectively, and ζ values of +41.31 and 34.02 mV for anatase and rutile phases, respectively. The NPs were mixed with the coating solution (i.e., hybrid sol-gel and OSNP) in different concentrations and thin films were prepared by spin coating. Self-cleaning tests were performed using Rhodamine B (RhB) as a pollution indicator. The effect of UV-irradiation on the films was also studied. Anatase and rutile incorporated as a mixture with different ratios in local paint and washability as well as a contrast ratio tests were performed. It was found that the addition of TiO{sub 2} NPs in combination with irradiation show a great enhancement of RhB degradation (1%) wt. with a decrease in contact angle and improved washability.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

A Process with Decoupled Absorber Kinetics and Solvent Regeneration through Membrane Dewatering and In-Column Heat Transfer (Final Report)

This report summarizes the work conducted on project DE-FE0031604 where University of Kentucky Center for Applied Energy (UK CAER) has validated its intensified CO 2 capture process through substantial enhancements to the kinetics of the absorption process and energy reductions by absorber temperature profile modification, dewatering and heat integration technologies for achieving significant capital and operating cost reductions. To address DOE’s objective of improving post-combustion CO 2 capture technology and reducing associated cost, UK CAER employed an intensified process which combined three key aspects targeted at overcoming inherent limitations or barriers in the conventional CO 2 capture and desorption process. The process designed to be independent of the type of solvent used, included (1) the use of 3-D printed two-channel structured packing material to control the temperature profile and increase the CO 2 absorption rate in the absorber, (2) a zeolite membrane dewatering unit for dewatering of the carbon-rich solvent to decouple solvent concentration needs for CO 2 absorption and desorption, and (3) a rich-split feed with two-phase flow heat transfer prior to the stripper that provided a secondary point of vapor generation to provide energy savings in steam extraction and solvent regeneration. The project was executed over two budget periods. This involved testing of individual process components which included the advanced heat transfer packing and the dewatering membrane on UK CAER’s 30 liter per minute (L/min) CO 2 (3” Column) capture bench unit with simulated flue gas in the first budget period. Subsequent scaled-up testing of these components together with the split-feed configuration were also tested in UK CAER’s 0.1 MWth CO 2 capture unit with coal-derived flue gas in the second-budget period. Long term studies were done during this period to assess process and solvent performance over extended duration. Project partners Lawrence Livermore National Laboratory (LLNL) and Media & Process Technology (MPT) led the development efforts for the advanced packing material and dewatering membrane respectively. Data from the long term testing was used as input for an environmental, health and safety (EH&S) assessment for the process and scaled technology performed by ALL4 LLC. Trimeric Corporation also completed a techno-economic analysis (TEA) for the UK CAER technology which was compared to the DOE reference Case B12B. Tests on the 3” column capture unit showed that the advanced heat transfer packing could be used to lower the bulge temperature in the absorber, and this was also proven in the scaled testing in the 0.1 MWth CO 2 capture unit. The bulge temperature could be lowered by >10 °C, changing the temperature profile in the absorber, and showed potential to enhance absorption with the ability to tailor the profile to provide conditions suitable for a solvent’s properties and kinetics. Conditions for short term evaluation of a 19” zeolite dewatering membrane on the 3” column capture unit yielded desirable fluxes and sustained rejection rates of >80%. However, for the scaled testing of six membrane modules consisting of 21 parts of 31-inch-long membrane tubes in each bundle (surface area 0.3 m 2 ), over a more extended duration, similar rejection rates could not be achieved. With the split-feed of the rich stream to the stripper, improved heat recovery minimized waste heat exiting the top of the stripper. The stripper exhaust temperatures could be reduced by >10 °C; reducing the amount of water vaporization contributed to lowering the regeneration energy by ~ 15%. The energy benefit could be sustained from the long term monitoring of the solvent performance. The solvent properties were not significantly impacted over the long-term operations. The benefits of the UK CAER process demonstrated experimentally were mostly validated from the TEA comparing a commercial scale application of the technology to DOE reference Case B12B. The cost of CO 2 capture for the UK CAER technology was estimated to be ~$34.97/tonne of CO 2 captured; a reduction of 23% compared to Case B12B. The increase in cost of electricity was also shown to be 16% lower than that of Case B12B. The total parasitic demand was also shown to be 11% lower. The key drivers for the benefits are a result of the process intensification approaches employed in the UK CAER technology for enhanced solvent performance, effective heat recovery and improved energy performance. The EH&S assessment did not find any major environmental concerns or barriers to the full scale implementation of the technology.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2017

Radionuclide Migration at a Plowshare Program Site: the Gasbuggy Underground Nuclear Test Site, San Juan County, New Mexico - 17019

Project Gasbuggy in northwest New Mexico was the first of three subsurface nuclear tests the U.S. Atomic Energy Commission conducted to evaluate the potential to enhance the production of natural gas from low-permeability geologic formations. In 1967, a 29-kiloton nuclear device was detonated in the Lewis Shale (marine shale and siltstone), 1,292 m below the land surface. The detonation vaporized a cavity into which overlying rock collapsed, forming a 101-m high rubble-filled chimney with a radius of 25 m. Explosion-generated fractures extended between 120 m and 150 m from the working point (detonation location). Most of the radionuclides generated from the explosion remain in the cavity melt glass or have decayed to negligible amounts; tritium radioactivity, however, is still high enough and potentially mobile enough to be of concern. Tritium is able to exchange with stable hydrogen and form liquid water and water vapor; under two-phase (liquid and gas) reservoir conditions the majority of tritium is stored as liquid water and volatilises only to restore equilibrium conditions as gas is removed. A numerical model was developed to examine the migration of tritium in both phases through the fractured shale and sandstone under present conditions. The results suggest that tritium has migrated only 110 m from the working point between 1967 and 2014. Although tritium is able to exchange between the gas and aqueous phases, the faster-diffusing gas phase is responsible for most of the tritium transport from the chimney. A hypothetical producing gas well located 340 m from the working point was added to the model to determine if tritiated water vapor (HTO) could migrate toward the well; results show that, because the low gas velocities could not compete with the high rate of radioactive decay, tritium would not reach the well. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Quantifying magnetic field driven lattice distortions in kagome metals at the femto-scale using scanning tunneling microscopy

A wide array of unusual phenomena has recently been uncovered in kagome solids. The charge density wave (CDW) state in the kagome superconductor AV 3 Sb 5 , in particular, intrigued the community; the CDW phase appears to break the time-reversal symmetry despite the absence of spin magnetism, which has been tied to exotic orbital loop currents possibly intertwined with magnetic field tunable crystal distortions. To test this connection, precise determination of the lattice response to an applied magnetic field is crucial but can be challenging at the atomic scale. We establish a scanning tunneling microscopy (STM) based method to study the evolution of the AV 3 Sb 5 atomic structure as a function of magnetic field. The method substantially reduces the errors of typical STM measurements, which are at the order of 1% when measuring an in-plane lattice constant change. Here, we find that the out-of-plane lattice constant of AV 3 Sb 5 remains unchanged (within 10 —6 ) by the application of both in-plane and out-of-plane magnetic fields. We also reveal that the in-plane lattice response to magnetic field is at most at the order of 0.05%. Our experiments provide further constraints on time-reversal symmetry breaking in kagome metals and establish a tool for higher-resolution extraction of the field-lattice coupling at the nanoscale applicable to other quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

An Integrated Multiscale Modeling Framework for Unconventional Stimulation and Production (Final Report)

The production of oil and gas from unconventional reservoirs largely depends upon two main features operating at different scales: (1) the establishment of a reservoir scale stimulated fracture network that effectively communicates with the rock volume, enhancing permeability and transport to the wellbore and (2) the coupled multi-phase flow, chemical and mechanical processes affecting the migration of hydrocarbons from the low permeability country rock adjacent to the stimulated fracture network. To date, there has been no simulation framework that allows seamless and integrated prediction of these features across spatial scales extending from the pore structure of the reservoir rock to the volume of the reservoir. In addition, there has been a lack of suitable field measurements to test such models, as stimulation and production data are often proprietary and not freely available to national laboratories and academic institutions. New multi-scale simulation capabilities are needed that are validated against suitable field-based research experiments on hydraulic fracturing and shale production.

02 PETROLEUM↗
DOE OSTI2024

Inclusive and differential cross section measurements of $ \textrm{t}\overline{\textrm{t}}\textrm{b}\overline{\textrm{b}} $ production in the lepton+jets channel at $ \sqrt{s} $ = 13 TeV

Measurements of inclusive and normalized differential cross sections of the associated production of top quark-antiquark and bottom quark-antiquark pairs, $ \textrm{t}\overline{\textrm{t}}\textrm{b}\overline{\textrm{b}} $, are presented. The results are based on data from proton-proton collisions collected by the CMS detector at a centre-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 138 fb$^{−1}$. The cross sections are measured in the lepton+jets decay channel of the top quark pair, using events containing exactly one isolated electron or muon and at least five jets. Measurements are made in four fiducial phase space regions, targeting different aspects of the $ \textrm{t}\overline{\textrm{t}}\textrm{b}\overline{\textrm{b}} $ process. Distributions are unfolded to the particle level through maximum likelihood fits, and compared with predictions from several event generators. The inclusive cross section measurements of this process in the fiducial phase space regions are the most precise to date. In most cases, the measured inclusive cross sections exceed the predictions with the chosen generator settings. The only exception is when using a particular choice of dynamic renormalization scale, $ {\mu}_{\textrm{R}}=\frac{1}{2}{\prod}_{i=\textrm{t},\overline{\textrm{t}},\textrm{b},\overline{\textrm{b}}}{m}_{\textrm{T},i}^{1/4} $, where $ {m}_{\textrm{T},i}^2={m}_i^2+{p}_{\textrm{T},i}^2 $ are the transverse masses of top and bottom quarks. The differential cross sections show varying degrees of compatibility with the theoretical predictions, and none of the tested generators with the chosen settings simultaneously describe all the measured distributions.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

On Disrupting the Na + -Ion/Vacancy Ordering in P2-Type Sodium–Manganese–Nickel Oxide Cathodes for Na + -Ion Batteries

An investigation of the electrochemical and structural properties of layered P2-Na 0.62 Mn 0.75 Ni 0.25 O 2 is presented. The effect of changing the Mn:Ni ratio (3:1) from what is found in Na 0.67 Mn 0.67 Ni 0.33 O 2 (2:1) and consequently the introduction of a third metal center (Mn 3+ ) was investigated. X-ray diffraction ( in-situ and powder) revealed the lack of Na+-ion/vacancy ordering at the relevant sodium contents (x = 0.33, 0.5 and 0.67). The Mn 3+ in Na 0.62 Mn 0.75 Ni 0.25 O 2 introduces defects into the Ni-Mn inter-plane charge order that in turn disrupts the ordering within the Na-plane. The material underwent a P2-O2 and P2-P2’ phase transition at high (4.2 V) and low (~ 1.85 V) voltages, respectively. The material was tested at several different voltage ranges in order to understand the effect of the phase transitions on the capacity retention. Interestingly, the inclusion of both phase transitions demonstrated comparable cycling performance to when both phase transitions were excluded. As a result, excellent rate performance was demonstrated between 4.3 – 1.5 V with a specific capacity of 120 mAh/g delivered at 500 mA/g current density.

25 ENERGY STORAGE↗
DOE OSTI2024

Process Intensification for Nanostructure Aluminum Extrusions

A new technology called Shear Assisted Processing and Extrusion (ShAPE™), pioneered at the Pacific Northwest National Laboratory (PNNL), has the potential to revolutionize the US extrusion industry. Maturation of the ShAPE™ process would create a new cross cutting US manufacturing technology that advances three key the objectives within AMO; namely, nanomaterials processing, process intensification, and materials for extreme and harsh environments. PNNL and SCM Metals Products, Inc. (SCM), a division of Kymera International, will collaborate to mature the ShAPE™ extrusion process beyond TRL 3 to increase the likelihood of its adoption by industry. PNNL’s custom (one-of-a-kind in the world) ShAPE™ machine will be used to extrude round rods of high strength aluminum alloy feedstock powder provided by SCM. As proof-of-concept, PNNL has previously extruded 5 mm diameter rods with SCM aluminum alloy powder AL-12.4TM. This project aims to scale up the process to a diameter of 25 mm while retaining the excellent mechanical properties achieved for the 5 mm diameter rods. The degree of process intensification with ShAPE™ will also be estimated. The primary objectives of this project are as follows. 1) Fabricate 25 mm diameter nanostructured extrusions in bulk, directly from AL-12.4TM aluminum alloy powder without the need for canning, degassing, compaction, and other intermediate steps typical of powder metallurgy extrusion. 2) Achieve a microstructure with an ultrafine grained (UFG <1 µm) aluminum matrix having refined and homogenously distributed nanoscale second phases. 3) Show that the ram force can be significantly reduced compared to conventional powder metallurgy extrusion of the same material and estimate the extent of process intensification that may be possible with ShAPE™. 4) Demonstrate improved high-temperature mechanical properties compared to conventional extrusion of the same material. The following tasks will be undertaken to achieve these objectives. PNNL will develop the die set and process parameters necessary to fabricate Al-12.4TM extrusions with a 25 mm diameter. Microstructural analysis will be performed by PNNL while mechanical testing will be conducted by SCM. With information learned from the process development and characterization, PNNL will perform an estimate of the degree of process intensification that may be possible with ShAPE™.

42 ENGINEERING↗