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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The Adaptive Potential of the Middle Domain of Yeast Hsp90

Abstract The distribution of fitness effects (DFEs) of new mutations across different environments quantifies the potential for adaptation in a given environment and its cost in others. So far, results regarding the cost of adaptation across environments have been mixed, and most studies have sampled random mutations across different genes. Here, we quantify systematically how costs of adaptation vary along a large stretch of protein sequence by studying the distribution of fitness effects of the same ≈2,300 amino-acid changing mutations obtained from deep mutational scanning of 119 amino acids in the middle domain of the heat shock protein Hsp90 in five environments. This region is known to be important for client binding, stabilization of the Hsp90 dimer, stabilization of the N-terminal-Middle and Middle-C-terminal interdomains, and regulation of ATPase–chaperone activity. Interestingly, we find that fitness correlates well across diverse stressful environments, with the exception of one environment, diamide. Consistent with this result, we find little cost of adaptation; on average only one in seven beneficial mutations is deleterious in another environment. We identify a hotspot of beneficial mutations in a region of the protein that is located within an allosteric center. The identified protein regions that are enriched in beneficial, deleterious, and costly mutations coincide with residues that are involved in the stabilization of Hsp90 interdomains and stabilization of client-binding interfaces, or residues that are involved in ATPase–chaperone activity of Hsp90. Thus, our study yields information regarding the role and adaptive potential of a protein sequence that complements and extends known structural information.

Cote-Hammarlof, Pamela A.↗
DOE OSTI2020

BWR Spent Nuclear Fuel Acquisition and Testing to Support DOE-NE High Burnup Spent Fuel Data Project

The Office of Spent Fuel and Waste Disposition (SFWD) within the US Department of Energy (DOE) Office of Nuclear Energy (NE) established the Spent Fuel and Waste Science and Technology (SFWST) campaign to conduct research and development (R&D) activities related to the storage, transportation, and disposal of spent nuclear fuel (SNF) and high-level radioactive waste. The SFWST program was created within SFWD to address issues of extended or long-term SNF storage and transportation. Some near-term objectives of SFWST are to use a science-based, engineering-driven approach to: Support the enhancement of the technical bases to support the continued safe and secure dry storage of SNF for extended periods; Support the enhancement of the technical bases for retrieving SNF after extended dry storage; Support the enhancement of the technical bases for transporting high burnup (HBU) fuel and transporting low burnup fuel and HBU fuel after dry storage DOE-NE, in partnership with the Electric Power Research Institute, developed the High Burnup Spent Fuel Data Project to perform a large-scale demonstration and laboratory-scale testing of HBU pressurized water reactor (PWR) fuels (exceeding 45 gigawatt-days per metric ton of uranium [GWd/MTU]). Under this project, 25 sister rods—which are rods that have the same design, power histories, and other characteristics—were removed from assemblies at the North Anna Nuclear Power Station and sent to Oak Ridge National Laboratory (ORNL) in January 2016. ORNL performed detailed nondestructive examination (NDE) on all 25 rods. The NDE consisted of visual examinations, gamma and neutron scanning, profilometry and rod length measurements, and eddy current examinations. After completing the NDE, 10 of the sister rods were delivered to Pacific Northwest National Laboratory (PNNL) in a NAC International, Inc. legal-weight truck cask in September 2018 for destructive examination (DE). To date, SFWD work has focused on the PWR fuel that is part of the Sister Rod Test program. No boiling water reactor (BWR) fuel has been tested in the program, and the data needs that were identified for the PWR fuel have not been collected for BWR fuel. The goal to obtain six to nine BWR rods and test them at ORNL will support closing this important data gap. BWR fuel comprises approximately 56% of the total fuel assemblies currently in storage at nuclear power plants in the United States. BWR nuclear fuel and cladding designs and manufacturing are significantly different from PWRs. Differences include the following: BWR fuel pellets are larger than PWR pellets; Variations of Zircaloy-2 (including liners) are used instead of the Zircaloy-4 cladding materials used in PWRs; Clad manufacturing and stress-relief processes are different between PWRs and BWRs; The fuel rod dimensions are different because larger rod diameters and thicker cladding are used in BWRs; BWR fuel typically has lower internal rod pressures and sees vastly different operating conditions than PWR fuel (i.e., two-phase flow); BWR assemblies are “canned,” meaning each assembly is surrounded by a metal fuel channel; BWR cladding is often composed of an inner pure Zr liner that has widely different mechanical properties than the Zircaloy-2 alloy and exhibits a stronger affinity for hydrogen; The BWR SNF generally has more total hydrogen in the cladding/liner than typical PWR fuel; The construction of the PWR and BWR assemblies is vastly different; BWR rods are solidly attached to the assembly nozzles and experience a much different vibration and shock load than PWR rods, which are “floating” within a grid system attached to guide tubes, and the rods sit loosely on the bottom end plates. These numerous differences will affect the way the BWR SNF responds under dry storage preparation processes (e.g., vacuum drying) and during transportation. The results collected in the PWR experimental program must be compared with a subset of similar data collected on BWR SNF to establish a technical basis for whether the larger PWR database is sufficient to bound the BWR SNF end-of-life conditions as is currently assumed for several fuel/clad properties. Changes that occur in both fuel types at HBU could exacerbate any mechanical property differences. As the fuel burnup increases, several changes occur that might affect the performance of the fuel, cladding, and assembly hardware in storage and transportation. These changes include increased cladding corrosion layer thickness, increased cladding hydrogen content, increased cladding creep strains, increased fission gas release, and the formation of the HBU structure at the surface of the fuel pellets. The Nuclear Regulatory Commission (NRC) limits the current maximum rod-averaged burnup to 62 GWd/MTU due to these changes and the lack of data at higher burnups.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Observation of laser ablation of silicon as a function of pulse length at constant fluence via time-resolved x-ray spectroscopy

We investigate the ablation of silicon as a function of laser pulse length at a constant fluence using time-resolved x-ray spectroscopy data obtained from OMEGA EP experiments at the University of Rochester's Laboratory for Laser Energetics. Our targets consisted of three-layer planar structures composed of Si (50 μm), Cu (25 μm), and SiO 2 (500 μm) layers. The Si layer was irradiated by a 351-nm laser with varying pulse widths of 250 ps, 500 ps, 1 ns, and 10 ns while maintaining a constant fluence of ~27.9 kJ/cm 2 . Electron temperatures and densities of the ablated plasma were determined by analyzing the time-resolved x-ray spectroscopy data through a comparison of experimental measurements with synthetic results obtained from Si atomic calculations in a steady state and non-local thermodynamic equilibrium. These calculations were computed using PrismSPECT. Additionally, radiation-hydrodynamics simulations with FLASH are used to generate simulated plasma-density and plasma-temperature profiles, which are then compared with the experimental measurements. Our analyses reveal that increasing the laser pulse length at a constant fluence results in a decrease in electron temperatures and densities. Furthermore, the longer pulses with lower intensities lead to deeper ablation regions before reaching the peak ablation but lower ionization balances in the silicon layer. Furthermore, these findings emphasize the critical role of laser pulse length in plasma ablation and shock generation for laser-impulse studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Dynamic Measurements of the Structural Evolution of Material Defects at the Mesoscale

This is a technical report to be published as part of the FY2021 annual overview package. We have designed experiments and developed analytical methods using images from x-ray and electron microscopy in order to quantify the behavior of crystal dislocation defects at their native nanometer-length and micro-length scales. The results of these analyses are used to directly inform theoretical physics models and guide interpretation of dark field x-ray microscopy (DFXM) images that offer spatial resolution surpassing the resolution of beamline optics. Additionally, we developed new analytical methods to automate the alignment of optics hardware used in both synchrotron and x-ray free electron laser beamline facilities. The tools and workflows developed for this project are now being deployed as proof-of-concept in reaction history analysis (RHA) for future programmatic integration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Development of scalable design optimization parameters for bi-component protective systems

Bi-component protection-systems need to withstand a variety of extreme loading conditions such as high-velocity projectile impact to shock and blast mitigation. The large number of parameters at each stage of bi-component protection system design process results in a near-infinite number of possible variables for optimization. The aim of this project is to identify the scaling laws linking material and geometric scales of the problem to the final impact performance, further including the effects of wave propagation/interaction and inter-component bonding. Specifically, the impact dynamics for different optimal projectile/target density ratios and relative component mass fractions are quantified for bonded ceramic/titanium alloy systems. The impact behavior such as wave mechanics and damage propagation within the target system is characterized and quantified via digital image correlation or via x-ray phase-contrast imaging.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Black Hole Supernovae, Their Equation of State Dependence, and Ejecta Composition

Abstract Recent literature on core-collapse supernovae suggests that a black hole (BH) can form within ∼1 s of shock revival, while still culminating in a successful supernova. We refer to these as BH supernovae, as they are distinct from other BH formation channels in both timescale and impact on the explosion. We simulate these events self-consistently from core collapse until 20–50 days after collapse using three axisymmetric models of a 60 M ⊙ zero-age main-sequence progenitor star and investigate how the composition of the ejecta is impacted by the BH formation. We employ Skyrme-type equations of state (EOSs) and vary the uncertain nucleonic effective mass, which affects the pressure inside the proto–neutron star through the thermal part of the EOS. This results in different BH formation times and explosion energies at BH formation, yielding final explosion energies between 0.06 and 0.72 × 10 51 erg with 21.8–23.3 M ⊙ of ejecta, of which 0–0.018 M ⊙ is 56 Ni. Compared to expectations from 1D simulations, we find more nuanced EOS dependences of the explosion dynamics, the mass of the BH remnant, and the elemental composition of the ejecta. We investigate why the explosions survive despite the massive overburden and link the shape of the diagnostic energy curve and character of the ejecta evolution to the progenitor structure.

Eggenberger Andersen, Oliver (ORCID:00000002966079↗
DOE OSTI2025

The luminous, slow-rising orphan afterglow AT2019pim as a candidate moderately relativistic outflow

ABSTRACT Classical gamma-ray bursts (GRBs) have two distinct emission episodes: prompt emission from ultrarelativistic ejecta and afterglow from shocked circumstellar material. While both components are extremely luminous in known GRBs, a variety of scenarios predict the existence of luminous afterglow emission with little or no associated high-energy prompt emission. We present AT 2019pim, the first spectroscopically confirmed afterglow with no observed high-energy emission to be identified. Serendipitously discovered during follow-up observations of a gravitational-wave trigger and located in a contemporaneous TESS sector, it is hallmarked by a fast-rising ($t \approx 2$ h), luminous ($M_{\rm UV,peak} \approx -24.4$ mag) optical transient with accompanying luminous X-ray and radio emission. No gamma-ray emission consistent with the time and location of the transient was detected by Fermi-GBM or by Konus, placing constraining limits on an accompanying GRB. We investigate several independent observational aspects of the afterglow in the context of constraints on relativistic motion and find all of them are consistent with an initial Lorentz factor of $\Gamma _0 \approx$ 10–30 for the on-axis material, significantly lower than in any well-observed GRB and consistent with the theoretically predicted ‘dirty fireball’ scenario in which the high-energy prompt emission is stifled by pair production. However, we cannot rule out a structured jet model in which only the line-of-sight material was ejected at low-$\Gamma$, off-axis from a classical high-$\Gamma$ jet core, and an on-axis GRB with below-average gamma-ray efficiency also remains a possibility. This event represents a milestone in orphan afterglow searches, demonstrating that luminous optical afterglows lacking detected GRB counterparts can be identified and spectroscopically confirmed in real time.

Perley, Daniel A. (ORCID:0000000184721996)↗
DOE OSTI2024

Identification of Kelvin-Helmholtz generated vortices in magnetised fluids

The Kelvin-Helmholtz Instability (KHI), arising from velocity shear across the magnetopause, plays a significant role in the viscous-like transfer of mass, momentum, and energy from the shocked solar wind into the magnetosphere. While the KHI leads to growth of surface waves and vortices, suitable detection methods for these applicable to magnetohydrodynamics (MHD) are currently lacking. A novel method is derived based on the well-established λ-family of hydrodynamic vortex identification techniques, which define a vortex as a local minimum in an adapted pressure field. The J × B Lorentz force is incorporated into this method by using an effective total pressure in MHD, including both magnetic pressure and a pressure-like part of the magnetic tension derived from a Helmholtz decomposition. The λ MHD method is shown to comprise of four physical effects: vortical momentum, density gradients, fluid compressibility, and the rotational part of the magnetic tension. A local three-dimensional MHD simulation representative of near-flank magnetopause conditions (plasma β’s 0.5 – 5 and convective Mach numbers M f ∼ 0.4) under northward interplanetary magnetic field (IMF) is used to validate λ MHD . Analysis shows it correlates well with hydrodynamic vortex definitions, though the level of correlation decreases with vortex evolution. Overall, vortical momentum dominates λ MHD at all times. During the linear growth phase, density gradients act to oppose vortex formation. By the highly nonlinear stage, the formation of small-scale structures leads to a rising importance of the magnetic tension. Compressibility was found to be insignificant throughout. Finally, a demonstration of this method adapted to tetrahedral spacecraft observations is performed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Pull Force Evaluation of CCS Insulated End Caps

Insulated end caps installed on DC pins of Combined Charging System (CCS) inlets have been identified as potential debris sources within electric vehicle supply equipment (EVSE) connectors, increasing the risk of electric shock and fire hazards. Although standards such as IEC 62196-1:2022 specify mechanical pull-force requirements for these end caps, it remains unclear whether these requirements provide adequate robustness under real-world conditions. To address this concern, the National Charging Experience (ChargeX) Consortium's Hardware Task Force conducted evaluations of insulated end caps used in OEM CCS inlets. This study assesses the performance of insulated end caps used in OEM CCS inlets, specifically those installed on DC pins, using the procedures defined in IEC 62196-1:2022 (Section Sign) 26.7 and SAE J3400, supplemented by additional experimental conditioning. To ensure relevance to real-world conditions, NLR collaborated with charging network operators (CNOs) to guide the selection of charging inlet samples. Material analyses of the insulated end cap samples were conducted to confirm that the tested materials reflected the types and properties commonly observed in the field. The selected samples underwent temperature and humidity conditioning followed by pull-force testing to evaluate the end-cap integrity. Although SAE J3400 inlets were not directly tested due to limited diversity in available field data, the underlying end-cap principles between CCS and SAE J3400 are comparable, allowing the study's insights to be relevant to both technologies. Overall, this study provides a structured evaluation framework to inform potential refinements to mechanical pull-force requirements in charging standards.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

An Experimental and Theoretical Study of the High Temperature Reactions of the Four Butyl Radical Isomers

The high temperature gas phase chemistry of the four butyl radical isomers (n-butyl,sec-butyl, iso-butyl, andtert-butyl) was investigated in a combined experimental and theoretical study. Organic nitrites were used as convenient and clean sources of each of the butyl radical isomers. Rate coefficients for dissociation of each nitrite were obtained experimentally and are at, or close to, the high pressure limit. Low pressure experiments were performed in a diaphragmless shock tube with laser schlieren densitometry at post-shock pressures of 65, 130, and 260 Torr and post-shock temperatures of 700-1000 K. Additional experiments were conducted with iso-butyl radicals at 805 K and 8.7 bar to elucidate changes in mechanism at higher pressures. These experiments were performed in a miniature shock tube with synchrotron-based photoionization mass spectrometry. The mass spectra confirmed that scission of the O-NO bond is the primary channel by which the precursors dissociate, but they also provided evidence of a minor channel (<7.7%) through HNO loss and formation of an aldehyde. These high pressure experiments were also used to determine the disproportionation/recombination ratio for iso-butyl radicals as 0.3. Reanalysis of the lower-temperature literature and the present data yielded rate constants for the disproportionation reaction, iso-butyl + iso-butyl = iso-butene + iso-butane. A chemical kinetics model was developed for the reactions of the butyl isomers that included new paths for highly energized adducts. These adducts are formed by the addition of H, CH 3 or C 2 H 5 to the butyl radicals. Accompanying theoretical investigations show that chemically activated pathways are competitive with stabilization of the adduct by collision under the conditions of the laser schlieren experiments. These calculations also show that at 10 bar and T< 1000 K stabilization is the only important reaction, but at higher temperatures, even at 10 bar, chemically activated product channels should also be considered. Branching fractions and rate coefficients are presented for these reactions. Furthermore, this study also highlights the importance of the radical structure for determining branching ratios for disproportionation and recombination of alkyl radicals, and these were facilitated by theoretical calculations of recombination rate coefficients for the four butyl radical isomers. Overall, the results reveal previously unknown features of butyl radical chemistry under conditions that are relevant to a wide range of applications and reaction mechanisms are presented that incorporate pressure dependent rate coefficients for the key steps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Are All Post-starbursts Mergers? HST Reveals Hidden Disturbances in the Majority of PSBs

How do galaxies transform from blue, star-forming spirals to red, quiescent early-type galaxies? To answer this question, we analyzed a set of 26 gas-rich, shocked post-starburst galaxies with Hubble Space Telescope (HST) imaging in $B$, $I$, and $H$ bands and Sloan Digital Sky Survey (SDSS) $i$-band imaging of similar depth but lower resolution. We found that post-starbursts in our sample have intermediate morphologies between disk- and bulge dominated (Sérsic $n$ = ${1.7}_{-0.0}^{+0.3}$ ) and have red bulges, likely due to dust obscuration in the cores. A majority of galaxies in our sample are more morphologically disturbed than regular galaxies (88%, corresponding to >3$σ$ significance) when observed with HST, with asymmetry and Sérsic residual flux fraction being the most successful measures of disturbance. Most disturbances are undetected at the lower resolution of SDSS imaging. Although ~27% galaxies are clear merger remnants, we found that disturbances in another ~30% of the sample are internal, caused by small-scale perturbations or dust substructures rather than tidal features, and require high-resolution imaging to detect. We found 2.8$σ$ evidence that asymmetry features fade on timescales ~200 Myr, and may vanish entirely after ~750 Myr, so we do not rule out a possible merger origin of all post-starbursts given that asymmetric features may have already faded. This work highlights the importance of small-scale disturbances, detected only in high-resolution imaging, in understanding structural evolution of transitioning galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Tailoring additive manufacturing to optimize dynamic properties in 316L stainless steel

With the advent of additive manufacturing, manipulation of typical microstructural elements such as grain size, texture, and defect densities is now possible at a faster time scale. While the processing–structure–property relationship in additive manufactured metals has been well studied over the past decade, little work has been done in understanding how this process affects the dynamic behavior of materials. We postulate that additive manufacturing can be used to alter the material microstructure and used to enhance its dynamic strength. In this work, 316L stainless steel (SS) was manufactured via selected laser melting and its microstructure was altered through changing build parameters like laser power, speed, and hatch spacing systematically. These samples were then subjected to spall recovery experiments to measure the spall strength and quantify the amount of damage as a function of build parameters. By mapping the spall strength as a function of build parameters, this work demonstrated that indeed additive manufacturing can be used to tailor the spall strength of 316L SS. This work also determined the optimum build parameters (laser power=195W; scanning speed=1083mm/s; hatch spacing=0.09mm; layer thickness=0.02mm) to obtain the highest spall strength and the least amount of total damage in 316L SS. Microstructural characterization of the pre- and post-mortem samples revealed that increased grain average misorientation and textural index were the main driving force behind this higher spall strength. This work aims to enhance microstructural engineering techniques to design materials with greater resistance to dynamic shock loading.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Melting and density of MgSiO 3 determined by shock compression of bridgmanite to 1254GPa

The essential data for interior and thermal evolution models of the Earth and super-Earths are the density and melting of mantle silicate under extreme conditions. Here, we report an unprecedently high melting temperature of MgSiO 3 at 500 GPa by direct shockwave loading of pre-synthesized dense MgSiO3 (bridgmanite) using the Z Pulsed Power Facility. We also present the first high-precision density data of crystalline MgSiO 3 to 422 GPa and 7200 K and of silicate melt to 1254 GPa. The experimental density measurements support our density functional theory based molecular dynamics calculations, providing benchmarks for theoretical calculations under extreme conditions. The excellent agreement between experiment and theory provides a reliable reference density profile for super-Earth mantles. Furthermore, the observed upper bound of melting temperature, 9430 K at 500 GPa, provides a critical constraint on the accretion energy required to melt the mantle and the prospect of driving a dynamo in massive rocky planets.

58 GEOSCIENCES↗
DOE OSTI2024

Leverage demand-side policies for energy security

Energy security is a top priority for governments, companies, and households because energy systems and the critical functions that they support are threatened by disruptions from wars, pandemics, climate change, and other shocks (1). More often than not, governments rely on policies focused on energy supply to enhance energy security while generally ignoring demand-side possibilities. Further, the indicators traditionally used to measure energy security are also tilted toward the supply side; this fails to capture the full spectrum of vulnerability to energy crises. Energy security assessments need to reflect the wider benefits of security related interventions more accurately. To that end, we develop a systematic approach to measuring the energy security impacts of policy interventions that explicitly considers energy demand (buildings, transport, and industry). Here, we determine that demand-side actions outperform conventional supply-side approaches at making countries more resilient. Energy demand links more directly than supply to the satisfaction of critical social functions and human well-being that are at the core of energy security. Yet, demand-side perspectives tend to be neglected or underrepresented in analysis and policy debates on energy security. Factors that contribute to this supply-side bias include the traditional sectoral organization of industries and policy institutions along fuels (coal, oil, and gas) and energy forms (electric utilities) as well as the decentralized and multivaried activities characteristic of energy demand (from vehicles to household appliances to manufacturing and more), which leads to a multitude of actors and institutional fragmentation. The basic fundamentals of energy systems and markets, where demand and supply are intricately linked, have also not yet risen from vague awareness to a central organizing principle among policy-makers for structuring the energy security discourse.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Dynamic response of 17-4 stainless steel as a function of manufacturing method and heat treatment

We present a series of plate-impact experiments on 17-4 stainless steel to study the effect of manufacturing method and heat treatment on the Hugoniot elastic limit (HEL), Hugoniot, phase transformation stress, and spallation strength. Two traditional manufacturing methods were considered, wrought processing and casting, as well as two additive manufacturing methods, laser powder-bed fusion (LPBF) and wire-fed electron beam (EBAM). For both LPBF and EBAM 17-4 stainless steel variants, two billets were printed, enabling the application of two unique heat treatments. The HEL stress depended heavily on the thermal history, with the HEL increasing after the formation of Cu-rich precipitates via heat treatment. The Hugoniot response both below and above the phase transition was unaffected by the manufacturing method or heat treatment. The phase transition stress depended heavily on the thermal history, with its variation being attributed to the presence of various microstructural features. This is supported by a marked increase in the phase transition stress after precipitation hardening. These results suggest that the notion of the phase transition stress being dictated by bulk composition is an oversimplification and the stress fields generated by the meso-scale structure are a dominant force. The spallation strength was lower in the cast material compared to all other 17-4 stainless steel variants due to the presence of brittle δ-ferrite inclusions. Additionally, a drop in the tensile strain-rate was observed in the spallation response above the phase transition stress, which was hypothesized to stem from the kinetics of the reversion to the low-pressure phase during spall.

Compressive stress↗
DOE OSTI2022

Quark and gluon helicity evolution at small x: revised and updated

We revisit the problem of small Bjorken-x evolution of the gluon and flavor-singlet quark helicity distributions in the shock wave (s-channel) formalism. Earlier works on the subject in the same framework resulted in an evolution equation for the gluon field-strength F 12 and quark “axial current” $\overline{\psi}\gamma$ + γ 5 ψ operators (sandwiched between the appropriate light-cone Wilson lines) in the double-logarithmic approximation (summing powers of α s ln 2 (1/x) with α s the strong coupling constant). In this work, we observe that an important mixing of the above operators with another gluon operator, ${}_D{}^{\leftarrow i} {}_D{}^{i}$, also sandwiched between the light-cone Wilson lines (with the repeated transverse index i = 1, 2 summed over), was missing in the previous works. This operator has the physical meaning of the sub-eikonal (covariant) phase: its contribution to helicity evolution is shown to be proportional to another sub-eikonal operator, ${}_D{}^{i} {}_D{}^{\leftarrow i}$, which is related to the Jaffe-Manohar polarized gluon distribution. In this work we include this new operator into small-x helicity evolution, and construct novel evolution equations mixing all three operators (${}_D{}^{i} {}_D{}^{\leftarrow i}$, F 12 , and $\overline{\psi}\gamma$ + γ 5 ψ), generalizing the results of . We also construct closed double-logarithmic evolution equations in the large-N c and large-N c &N f limits, with N c and N f the numbers of quark colors and flavors, respectively. Solving the large-N c equations numerically we obtain the following small-x asymptotics of the quark and gluon helicity distributions ΔΣ and ΔG, along with the g 1 structure function, $$ \Delta \Sigma \left(x,{Q}^2\right)\sim \Delta G\left(x,{Q}^2\right)\sim {g}_1\left(x,{Q}^2\right)\sim {\left(\frac{1}{x}\right)}^{3.66\sqrt{\frac{\alpha_s{N}_c}{2\pi }}} $$ in complete agreement with the earlier work by Bartels, Ermolaev and Ryskin.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

First-principles simulation of a shocked H-He mixture along the principal Hugoniot

Recent laser-shock experiments on an H–He mixture containing 11% helium (atomic fraction) have suggested the presence of an immiscibility region inside Jupiter. Reflectivity measurements were used as the primary diagnostic of H–He demixing, with discontinuities in the optical reflectivity proposed as a signature of phase separation under conditions relevant to Jupiter's interior. Here, we investigate shock-compressed H–He using ab initio molecular dynamics simulations with optical properties evaluated within the Kubo–Greenwood formalism. The equation of state and ionic configurations were obtained using the thermal Tr 2 SCANL meta-GGA exchange–correlation (XC) functional, while optical properties were computed using the recently developed RS-KDT0 range-separated thermal hybrid XC, which provides state-of-the-art accuracy for band-gap predictions in the warm dense matter regime. The calculated reflectivity shows overall good agreement with experimental measurements; however, no discontinuity is observed at elevated temperatures. Moreover, the reflectivity predictions for the mixed system are consistent with the experimental measurements in the temperature range where the mixture is inferred to be demixed. Furthermore, these results suggest that reflectivity alone may not provide a unique or sensitive diagnostic of H–He demixing at low helium concentrations under these conditions.

Density functional calculations↗
DOE OSTI2024

Melting and transport properties of Al 2⁢ O 3 at extreme conditions

The high-pressure, temperature phase diagram and transport properties of materials are of broad interest to planetary sciences and high-energy-density sciences and applications. Alumina (Al 2 O 3 ) or its various forms (e.g., solutions with other oxides or silicates) are important constituents in Earth’s and super-Earths’ mantles, common window materials in dynamic compression experiments, and standard pressure calibrators in diamond-anvil-cell experiments. Its structures and transport properties are of particular importance but have not been well studied at above 100 GPa pressures. Based on extensive first-principles molecular dynamics calculations, we obtain atomic level insights on structural differences and accurate results on electrical conductivity (σ dc ), thermal conductivity (κ), and reflectivity of Al 2 O 3 in several phases at pressures of ~130–1300 GPa and temperatures of 4000–20,000 K. We find the solid-to-liquid state changes of Al 2 O 3 are accompanied by an insulator-to-semimetal transition with enhanced σ dc and κ, which is similar to other silicates and oxides and can facilitate magnetic field generation in deep interiors of rocky planets. We also find the solid-to-solid transition (from Rh 2 O 3 (II) to CaIrO 3 ) is accompanied by negligible changes in σ dc and κ at 160 GPa, contrary to previous expectations, whereas another higher pressure phase transition (CaIrO 3 to U 2 S 3 at 450 GPa) is associated with increases in σ dc and κ. Furthermore, we show the transport properties can be enhanced by oxygen vacancy in Al 2 O 3 , but are not significantly affected by forming solutions with MgSiO 3 , particularly when in the solid states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗