Results for “Volume dynamics” — Page 17

DOE OSTI2026

A Kinetic Model of the Long-Term Corrosion of Glass-Ceramic Materials

Multiphase waste forms show promise for increased waste loading and for the ability to dispose of contaminated solid and particulate waste through direct densification. However, achieving predictive capability for long-term durability of multiphase waste forms, and thus assessing their possible deployment, requires expanding the current, limited knowledge base. Here, we describe the development of a corrosion model of a two-phase waste form consisting of crystals of known volume fraction embedded in a glass matrix. This model accounts for the dissolution of both the crystalline and glass phases as well as the hydration of the glass phase through an ion exchange reaction. Because of the large difference in solubility between the two phases, the reactive surface of the crystalline phase is a function of the extent of dissolution of the glass phase in this model. Model parameterization was performed using corrosion data, such as from single-pass flow-through tests, for the individual phases. The parameterized corrosion model was evaluated against static dissolution test data for a glass-ceramic multiphase waste form. This evaluation demonstrated the model’s ability to reproduce the time-dependent release of key tracers of glass and crystalline phase dissolution. Hence, the development of a kinetic model provides a pathway for long-term durability predictions and thus the use of multiphase waste forms in nuclear cleanup missions.

Kerisit, Sebastien N.↗

DOE OSTI2026

Operando microscopy for neuromorphic hardware

Microscopy techniques can uncover the physical properties and dynamic behaviours of materials, driving the discovery of emergent phenomena and guiding the design of next-generation computing hardware. As artificial intelligence becomes pervasive, the demand for high-performance materials to support sustainable information technologies is growing. Here, this Review highlights state-of-the-art imaging from electron and X-ray to optical techniques to probe the dynamics of neuromorphic materials, including operando characterization of devices. We examine design principles for neuromorphic materials, along with obstacles that hinder their development. Emphasis is placed on spatially and temporally resolved approaches that capture state changes including phase transitions, ferroic switching and spin-wave propagation that emulate biological components such as neurons, synapses and their connectivity. We discuss challenges in operando characterization and the integration of artificial intelligence-driven analysis for feedback-guided material discovery. Finally, we outline opportunities for real-time imaging of neuromorphic systems, paving the way towards adaptive, brain-inspired hardware.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Autonomous Radiation Cartographer (ARC) System Training Manual

This training manual is designed to provide end users with a comprehensive knowledge base for the safe and effective use of the Autonomous Radiation Cartographer (ARC) System. The ARC is a fully autonomous radiation detection robot based on the Spot Robot platform manufactured by Boston Dynamics.

42 ENGINEERING↗

NASA NTRSDate not supplied

Hot Water, Cold Reality: Experimental Analysis of Sorption Constraints in Iodine Filtration Media Under Heated-Water Conditions

Iodine has been widely employed as a residual biocide in potable water applications during crewed missions. Unlike other biocides, it is essential to remove iodine from drinking water prior to consumption, as its biocidal concentration raises health concerns. Consequently, effectively removing iodine species from water is a critical step in potable water processing. Although the non-biocided heated leg has not violated microbial specifications on the International Space Station, any wetted volume lacking biocide presents potential risks for long‑duration exploration missions and for systems that are sensitive to microbial growth/contamination. Recent assessments indicate, however, that iodine‑removal performance may degrade under elevated temperature conditions, such as those required for dispensing hot water for food preparation. This reduction in efficacy appears to stem from both the potential physical degradation of filtration media and the temperature‑dependent behavior of adsorption processes. To investigate the influence of water temperature on the efficacy of filtration media for iodine removal, a series of adsorption capacity tests were conducted at both room temperature and elevated temperatures (90 °C). These experiments aimed to benchmark the performance of the adsorbents that constitute the ACTEX filter in the ISS’s potable water dispenser. The findings of this study provide critical insights into the iodine filtration process, verify the potential performance shortfall under elevated temperature conditions, and establish the basis for defining new absorbent requirements to ensure reliable iodine removal in future mission architectures.

drinking water↗

DOE OSTI2026

Equation of state for Hf, Ta, W, Re, Os, Ir, Pt, and Au to multi-terapascal pressures from density-functional theory

We present the zero-temperature equation of state (pressure dependence of compression) and phase stability predictions for the 5d-transition metals obtained from all-electron density-functional theory (DFT) calculations. The results compare favorably with experiments but extend beyond current experimental capabilities to 10 TPa. Our study reveals phase changes that are explained from the calculated electronic structure. The cubic face-centered and body-centered structures (fcc and bcc), together with two-, three-, and four-layered hexagonal structures, play major roles under compression. The results’ dependence on the electron exchange and correlation in the DFT approach is investigated, and it is shown that the impact of the choice, while significant at lower pressures, diminishes in the terapascal regime. We further illustrate that the normal parabolic trends in atomic volume and bulk modulus with atomic number, due to the occupation of bonding and anti-bonding 5d states, break down at TPa pressures, suggesting drastically different chemical bonding at these extreme conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRSDate not supplied

Hot Water, Cold Reality: Experimental Analysis of Sorption Constraints in Iodine Filtration Media Under Heated-Water Conditions

Iodine has been widely employed as a residual biocide in potable water applications during crewed missions. Unlike other biocides, it is essential to remove iodine from drinking water prior to consumption, as its biocidal concentration raises health concerns. Consequently, effectively removing iodine species from water is a critical step in potable water processing. Although the non-biocided heated leg has not violated microbial specifications on the International Space Station, any wetted volume lacking biocide presents potential risks for long‑duration exploration missions and for systems that are sensitive to microbial growth/contamination. Recent assessments indicate, however, that iodine‑removal performance may degrade under elevated temperature conditions, such as those required for dispensing hot water for food preparation. This reduction in efficacy appears to stem from both the potential physical degradation of filtration media and the temperature‑dependent behavior of adsorption processes. To investigate the influence of water temperature on the efficacy of filtration media for iodine removal, a series of adsorption capacity tests were conducted at both room temperature and elevated temperatures (90 °C). These experiments aimed to benchmark the performance of the adsorbents that constitute the ACTEX filter in the ISS’s potable water dispenser. The findings of this study provide critical insights into the iodine filtration process, verify the potential performance shortfall under elevated temperature conditions, and establish the basis for defining new absorbent requirements to ensure reliable iodine removal in future mission architectures.

iodine↗

DOE OSTI2026

The CP-PAW Code Package for First-Principles Calculations from a User’s Perspective

CP-PAW is a combined electronic structure and ab initio molecular dynamics code to perform mixed quantum and classical simulations of atomistic condensed phase systems, such as solids, liquids, and molecular systems. As the name suggests, the CP-PAW code unifies the all-electron projector augmented-wave (PAW) method with the Car–Parrinello (CP) approach to determine not only the electronic and nuclear ground states of condensed matter but also to study their properties and dynamics. In addition to briefly outlining the underlying theory, the focus will be on the unique aspects of CP-PAW and how to correctly employ them as a user. How to install CP-PAW using the new build system will also be briefly mentioned.

Blöchl, Peter E [Institute for Theoretical Physic↗

DOE OSTI2023

Stabilization Of The CN 3 5− Anion In Recoverable High‐pressure Ln 3 O 2 (CN 3 ) (Ln=La, Eu, Gd, Tb, Ho, Yb) Oxoguanidinates

Abstract A series of isostructural Ln 3 O 2 (CN 3 ) (Ln=La, Eu, Gd, Tb, Ho, Yb) oxoguanidinates was synthesized under high‐pressure (25–54 GPa) high‐temperature (2000–3000 K) conditions in laser‐heated diamond anvil cells. The crystal structure of this novel class of compounds was determined via synchrotron single‐crystal X‐ray diffraction (SCXRD) as well as corroborated by X‐ray absorption near edge structure (XANES) measurements and density functional theory (DFT) calculations. The Ln 3 O 2 (CN 3 ) solids are composed of the hitherto unknown CN 3 5− guanidinate anion—deprotonated guanidine. Changes in unit cell volumes and compressibility of Ln 3 O 2 (CN 3 ) (Ln=La, Eu, Gd, Tb, Ho, Yb) compounds are found to be dictated by the lanthanide contraction phenomenon. Decompression experiments show that Ln 3 O 2 (CN 3 ) compounds are recoverable to ambient conditions. The stabilization of the CN 3 5− guanidinate anion at ambient conditions provides new opportunities in inorganic and organic synthetic chemistry.

Chemistry↗

DOE OSTI2026

Tuning the Coordination Environment of Rh Single Atoms on Highly Dispersed Reducible Oxides for Enhanced Reverse Water-Gas Shift Performance

Controlling the dynamic mobility of catalyst surface active sites and their interactions with the surrounding environment is critical in generating active surfaces that directly influence the catalytic activity and selectivity. Here, we report a strategy for tailoring the dispersion and electronic environment of single atom Rh catalysts by decorating the alumina support with highly dispersed (HD) cerium and molybdenum oxides. The resulting catalysts exhibit markedly different behavior in the Reverse Water Gas Shift (RWGS) reaction. In particular, Rh/MoOx(HD)/Al2O3 maintains atomically dispersed Rh even at elevated temperatures (up to 400 °C), achieving CO selectivity of up to 100% and resists sintering via the formation of a newly developed structure featuring Rh single atoms embedded in MoOx clusters. In situ spectroscopy and microscopy analyses confirm the stabilization of Rh and the dynamic evolution of Rh–Mo coordination under reaction conditions. Our findings highlight the power of support modification in steering active site structure and activity, offering a pathway toward enhanced and tunable single atom catalysts for CO2 valorization.

CO selectivity↗

NASA NTRS2026

Landsat Instrument Suite (LandIS) Sensor Design for the Landsat 10 Mission

Landsat 10 will be the upcoming mission in the 50+ year Landsat series of Earth observation platforms. The centerpiece of the observatory will be a super-spectral imager known as the Landsat Instrument Suite (LandIS). The sensor will feature 26 spectral channels from the visible through near-, short-wave, and thermal infrared wavelengths with spatial resolutions of 10, 20, and 60 meters on the ground, depending on the band. These enhancements over the legacy Landsat instruments will ensure data continuity with the existing archive and will expand upon the core Landsat capabilities to enable new applications in Earth science. After a competitive procurement, NASA selected the design submitted by the Raytheon Company for the LandIS instrument. The innovative Raytheon instrument concept utilizes an advanced whiskbroom architecture to fulfill the strict radiometric, spatial, and geometric image quality requirements demanded by the Landsat 10 mission and fits within restrictive mass, volume, and power constraints. The instrument will continue the Landsat directive to image all daylit land and near-shore water areas, along with select nighttime imaging. On-board calibration source data will ensure high radiometric and geometric accuracy and stability consistent with previous missions to enable continuity in data products available to users. This paper discusses the driving requirements for LandIS and provides a description of the chosen design and operations concept of the instrument.

Requirements↗

DOE OSTI2026

Conformational Isomerization of Imide Anions Governs Solvation and Transport in Water-in-Salt Electrolytes

The behavior of highly concentrated electrolytes departs radically from the dilute-solution theory, yet the molecular origin of this transformation remains unresolved. Here, we identify the conformational isomerization of molecular ions as a decisive, previously unrecognized control parameter governing structure and transport in crowded aqueous electrolytes. Across a series of fluorosulfonimide anions, we show that increasing concentration drives a collective shift from extended transoid to compact cisoid conformers, revealed by small-angle X-ray scattering, vibrational spectroscopy, pulsed-field gradient NMR, and molecular dynamics simulations. This conformational transition triggers a collapse of the hydrogen-bonded water network and the emergence of densely packed ionic domains with confined water, producing a qualitative change in Li+ transport from solvent-mediated diffusion to network-confined hopping. Anion size and asymmetry systematically tune the onset of this transition, demonstrating that molecular geometry dictates mesoscale organization and dynamics in the ion-rich regime. Our results establish ion conformation, not merely composition or coordination, as a fundamental thermodynamic variable in concentrated solutions, providing a chemical framework that unifies solvation structure and transport in water-in-salt electrolytes and suggesting new principles for designing dense ionic media.

Nguyen, Huong TD↗

DOE OSTI2026

Future Projection of Tropical Upper-Tropospheric Troughs and Implications for Tropical Cyclone Activity

Summertime tropical upper-tropospheric troughs (TUTTs) provide a unified framework to better understand how extratropical and tropical forcings jointly modulate basin-scale tropical cyclone (TC) activity. In this study, we examine future changes in TUTTs and their implications for TC activity. Multimodel ensemble-mean projections from 45 Coupled Model Intercomparison Project phase 6 (CMIP6) models suggest a contraction of the Pacific TUTT and an expansion of the Atlantic TUTT as the climate warms. Consistently, future changes in environment-based TC indices indicate that the large-scale conditions will become more favorable for TC genesis and intensification over the central North Pacific but less favorable over the tropical North Atlantic and Gulf of Mexico. Utilizing a TC-permitting large-ensemble dataset [i.e., the Database for Policy Decision-Making for Future Climate Change (d4PDF)] that adequately captures the observed interannual TUTT–TC relationships, we further confirm the impacts of projected TUTT changes on the TC activity in a warmer climate. In contrast, the TUTT–TC relationship is poorly represented in most CMIP6 High-Resolution Model Intercomparison Project (HighResMIP) models; such deficiencies call for caution when assessing future TC risk based on explicitly tracked TCs in these models. Additionally, CMIP6 projections show large intermodel spread in TUTT changes, implying uncertainty in projected TC activity, especially over the central-to-eastern Pacific and the North Atlantic. This intermodel spread is associated with interhemispheric sea surface temperature warming asymmetry, which leads to a meridional shift of the intertropical convergence zone (ITCZ) and the simultaneous weakening or strengthening of TUTTs in the North Pacific and North Atlantic. The potential contributions of anthropogenic aerosol forcing and oceanic circulation to this interhemispheric warming asymmetry are briefly examined.

Climate Change↗

DOE OSTI2025

Taking three-dimensional x-ray diffraction (3DXRD) from the synchrotron to the laboratory scale

Three-dimensional x-ray diffraction (3DXRD), a rotating x-ray diffraction technique, is a powerful tool for studying the micromechanical behavior of polycrystalline materials, capable of measuring the volume, position, orientation, and strain of thousands of grains simultaneously. However, its application has been historically limited to synchrotron facilities. Here, we present the first demonstration of laboratory-scale 3DXRD (Lab-3DXRD) using a liquid-metal-jet source. Lab-3DXRD achieves accuracy comparable to synchrotron-based 3DXRD, as validated against laboratory diffraction contrast tomography (LabDCT) and synchrotron-3DXRD. Over 96% of the grains detected with Lab-3DXRD are cross-validated, particularly for coarse grains (> ~60 μm), while the results suggest that finer grains should be accessible by taking advantage of high-efficiency detectors. We further demonstrate that its sensitivity to finer grains is enhanced by incorporating pre-characterization into the analysis. This study establishes Lab-3DXRD as a practical alternative to synchrotron techniques, making 3DXRD accessible to a wider range of academic and industrial researchers.

characterization and analytical techniques↗

NASA NTRSDate not supplied

Practical Tips for Setting Up an LS-DYNA MAT_213 Analysis

Since 2012, NASA has actively contributed to the development and application of the LS-DYNA MAT_213 material model to predict responses under dynamic loading events. This presentation provides a high-level overview of MAT_213 and captures practical tips and suggestions for using it.

MAT_213↗

DOE OSTI2026

Temperature as a control knob on spin-orbit coupling

Spin-orbit coupling (SOC) governs many physical phenomena. Through ab initio molecular dynamics simulations, Lu and Sun demonstrated that structural disorder at elevated temperatures substantially reduces the effective SOC contribution that stabilizes band inversion, driving a topological-to-normal-insulator transition in Bi2Se3. Their work identifies temperature as a meaningful control parameter for SOC-mediated topology and other properties.

Liang, Liangbo [ORNL] (ORCID:0000000311990049)↗

NASA NTRS2006

Performance of AEA 80 Ah Battery Under GEO Profile

To date completed three Solar Dynamic Observatory SDO real-time eclipse seasons. Sony 18650HC has a low rate of capacity fade under GEO cycling regime. Real time test results correlate with accelerated GEO lifetest data and AEA capacity fade prediction tool. This data, together with other AEA test data, justify the SDO Project decision to baseline Lithium-Ion chemistry for the spacecraft battery.

Russel, N.↗

NASA NTRSDate not supplied

A Simplified Model of VIPER Thermal Management System. Part II: Integrated Vehicle

NASA’s Volatiles Investigating Polar Exploration Rover (VIPER) thermal management system (TMS) relies on four loop heat pipes (LHPs) to transport electronic waste heat to the vehicle cooling radiative surface and avoid overheating. The TMS has also ten constant conductance heat pipes (CCHPs) dedicated to balance the thermal load within the internal environment where the avionics boxes are mounted, also called warm electronic box (WEB), and to transport the heat from two of the science payload instruments. The TMS also uses two thermal straps to thermally link the batteries to the WEB. These thermal components, in addition to heaters, thermostat, multi-layer insulation (MLIs), and isolators forms the core of the VIPER TMS. The complex heat transport balance managed by the TMS is challenging to characterize and model. The more fidelity and granularity of a model, the more costly the computational resources needed and the longer the simulation and modeling time. When the priority is to provide quick but reliable assessments of the thermal performance or real time thermal feedback for training of console operators, simplified modeling tools are needed. To satisfy that need, this paper describes the effort to develop and correlate a model of VIPER TMS based on control volume approach. The correlation effort in particular focuses on hibernation, cold thermal balance, and hot thermal balance data from the integrated vehicle thermal vacuum (TVAC) test. Thus, the correlated model captures the heat leaks during hibernations and the performance at two extremes, bounding, operating scenarios.

Loop Heat Pipe↗

NASA NTRSDate not supplied

A Simplified Model of VIPER Thermal Management System. Part II: Integrated Vehicle

NASA’s Volatiles Investigating Polar Exploration Rover (VIPER) thermal management system (TMS) relies on four loop heat pipes (LHPs) to transport electronic waste heat to the vehicle cooling radiative surface and avoid overheating. The TMS has also ten constant conductance heat pipes (CCHPs) dedicated to balance the thermal load within the internal environment where the avionics boxes are mounted, also called warm electronic box (WEB), and to transport the heat from two of the science payload instruments. The TMS also uses two thermal straps to thermally link the batteries to the WEB. These thermal components, in addition to heaters, thermostat, multi-layer insulation (MLIs), and isolators forms the core of the VIPER TMS. The complex heat transport balance managed by the TMS is challenging to characterize and model. The more fidelity and granularity of a model, the more costly the computational resources needed and the longer the simulation and modeling time. When the priority is to provide quick but reliable assessments of the thermal performance or real time thermal feedback for training of console operators, simplified modeling tools are needed. To satisfy that need, this paper describes the effort to develop and correlate a model of VIPER TMS based on control volume approach. The correlation effort in particular focuses on hibernation, cold thermal balance, and hot thermal balance data from the integrated vehicle thermal vacuum (TVAC) test. Thus, the correlated model captures the heat leaks during hibernations and the performance at two extremes, bounding, operating scenarios.

Thermal Modeling↗