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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Suppressing Structural Relaxation in Nanoscale Antimony to Enable Ultralow‐Drift Phase‐Change Memory Applications

Abstract Phase‐change random‐access memory (PCRAM) devices suffer from pronounced resistance drift originating from considerable structural relaxation of phase‐change materials (PCMs), which hinders current developments of high‐capacity memory and high‐parallelism computing that both need reliable multibit programming. This work realizes that compositional simplification and geometrical miniaturization of traditional GeSbTe‐like PCMs are feasible routes to suppress relaxation. While to date, the aging mechanisms of the simplest PCM, Sb, at nanoscale, have not yet been unveiled. Here, this work demonstrates that in an optimal thickness of only 4 nm, the thin Sb film can enable a precise multilevel programming with ultralow resistance drift coefficients, in a regime of ≈10 −4 –10 −3 . This advancement is mainly owed to the slightly changed Peierls distortion in Sb and the less‐distorted octahedral‐like atomic configurations across the Sb/SiO 2 interfaces. This work highlights a new indispensable approach, interfacial regulation of nanoscale PCMs, for pursuing ultimately reliable resistance control in aggressively‐miniaturized PCRAM devices, to boost the storage and computing efficiencies substantially.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Sub-melt nanosecond pulsed-laser induced densification and strain-field relaxation in single-crystal diamond

Dislocations and polishing-induced defect networks in synthetic diamond introduce local strain fields and broaden Raman features, limiting performance in optical, thermal, and electronic applications. Laser annealing is emerging as a promising approach to repair surface and near-surface defects in diamond without entering the melt regime, yet surface densification, defect-state modification, and associated structural changes have not been well quantified. In this work, we show that sub-melt nanosecond pulsed-laser annealing (PLA) induces near-surface densification and defect-mediated strain relaxation in single-crystal Chemical Vapor Deposition (CVD) diamond. Single- and two-pulse PLA were applied, and structural evolution was quantified using co-registered ISO 25,178 white-light interferometry, depth-resolved Raman spectroscopy, and cross-sectional STEM with geometric phase analysis (GPA). Across a 5 × 6 grid (n = 30), responsive regions exhibit large reductions in local slope (Sdq 45–65%), developed area (Sdr 60–90%), height spread (Sp, Sz 30–65%), void volume (Vv 57–60%), and roughness amplitude (Sa, Sq 48–57%), consistent with densification of ∼4–6.5 nm. Raman profiling shows narrowing of the diamond line and improved spectral uniformity to depths of ∼2–3 μm. Given that the Raman probing depth significantly exceeds the densified layer thickness, this response is interpreted as consistent with long-range strain-field redistribution originating from the near-surface region. STEM-GPA strain maps further support this interpretation, showing smoother strain fields, suppressed hotspots, and redistribution of localized strain concentrations following PLA. These results are consistent with defect-mediated strain relaxation and densification-driven modification of the near-surface energy state. The approach provides a scalable pathway for improving near-surface structural quality in diamond relevant to electronic, photonic, and quantum applications.

Areal surface metrology (ISO 25,178)↗
DOE OSTI2025

Monitoring the long-term performance of organic redox flow battery by a distribution of relaxation time analysis

Organic redox flow batteries hold great promise as an energy storage technology, but their intricate chemistry makes them vulnerable to various degradation mechanisms. Monitoring this degradation is essential for identifying the limiting processes within the cells. Electrochemical impedance spectroscopy (EIS) offers a straightforward, in-situ method for measuring the total resistance of an operating cell. However, to pinpoint the limiting processes during long-term cycling, EIS data must be complemented by other techniques. Distribution of relaxation time (DRT) analysis is particularly effective for differentiating resistance components. Here, in this study, we perform a comprehensive analysis of resistance evolution and the separation of anode and cathode contributions during long-term cycling of a full cell employing 7,8-dihydroxyphenazine-2-sulfonic acid (DHPS) as the anolyte. Separate analyses of the DHPS anolyte and ferri-/ferrocyanide catholyte were conducted using a symmetric cell setup. The relaxation times derived from symmetric cells facilitate the identification of peaks in the DRT profiles from the full cell. Importantly, the DRT profiles indicate a correlation between the evolution of charge transfer resistance and the chemical degradation of DHPS. The methodologies and results outlined in this study offer significant insights for developing diagnostic tools applicable to other types of redox flow batteries.

Distribution of relaxation time↗
DOE OSTI2024

Identifying multiple synergistic factors on the susceptibility to stress relaxation cracking in variously heat-treated weldments

The 347H austenitic stainless steel has been widely used for pressure vessels and pipeline (PVP) applications due to its excellent creep and corrosion resistance, which fit ideally to the harsh conditions in petrochemical industries, fossil fuel or nuclear power plants, and modern energy storages. However, a failure mode has been commonly observed with cracks emerging at the heat affected zone (HAZ) of weldments during post-weld heat treatment (PWHT) or under intermediate to high temperature service conditions. This phenomenon is termed as Stress Relaxation Cracking (SRC) since the purpose of PWHT is to relieve the welding-induced residual stress fields, or as Stress Age Cracking (SAC) if failure happens during service. A leading literature explanation of this failure suggests that the residual stress relaxation and the precipitation dissolution and/or re-precipitation occur in the same temperature range, which can lead to locally high strains and thus to crack at the grain boundaries. Since in situ spatial measurements of residual stress fields, microstructural evolution, and failure processes are nearly infeasible, this work recourses to a micromechanical finite element framework that models the high temperature failure as the nucleation and growth of grain boundary cavities, whereas various parameters such as thermomechanical loading history and its evolution, the competition of grain-interior dislocation creep and grain-boundary diffusion in failure lifetime, and microstructural heterogeneities (such as the precipitate free zone near grain boundaries) can be quantitatively incorporated. It can be concluded from these microstructure-explicit simulations that an accurate knowledge of residual stress evolution and a carefully calibrated set of material constitutive parameters are the essential prerequisites for lifetime predictions. The understanding of individual governing factors also leads to a mechanistic interpretation of the observed SRC susceptibility C-curves. In conclusion, these results suggest that the criticality of residual stress evolution, but not the precipitation-induced local strains, be the leading factor for SRC.

347H stainless steel weldments↗
DOE OSTI2025

Characterization of kerogen nanopores using 2D NMR relaxation and MD simulations

The characterization of kerogen nanopores is crucial for predicting the geostorage capacity and recoverability of natural gas in unconventional gas shale reservoirs. Towards this end, a powerful technique is presented which integrates 2D NMR T 1 -T 2 relaxation measurements with molecular dynamics (MD) simulations of hydrocarbons confined in the nanopores of kerogen. The integrated NMR-MD technique is demonstrated using T 1 -T 2 measurements of kerogen isolates and organic-rich chalks saturated with heptane, together with MD simulations of heptane completely dissolved in a realistic kerogen model. The NMR-MD results are used to extract the swelling ratio and nanopore size distribution of kerogen as a function of depth in the reservoir. The effects of organic nanoconfinement on the T 1 relaxation dispersion and T 2 residual dipolar coupling of heptane are investigated, as well as the effect of downhole effective stress on the kerogen nanopore size as a function of depth and compaction. Potential applications in partially depleted gas shale reservoirs are discussed, including CO 2 utilization/geostorage, geostorage of green H 2 , and integration of the NMR-MD technique with thermodynamic models for predicting the competitive sorption of gas mixtures in kerogen.

Compaction↗
DOE OSTI2021

Grain boundary relaxation in doped nano-grained aluminum

Here, simulation studies are done to understand the role of dopants that segregate preferentially to grain boundaries on the stability of nanocrystalline aluminum. A dopant design framework based on thermodynamic principles, is used to identify the specific dopant type with the highest potential to segregate to grain boundaries in nanocrystalline aluminum. Various elements are evaluated as potential dopants and magnesium is identified to have the highest tendency to segregate to grain boundaries and release the excess free energyleading to the relaxation of the grain boundaries. A systematic combination of atomic structure analysis is then done to correlate grain boundary relaxation and the mechanical response of the magnesium-doped nanocrystalline aluminum at ambient temperature. The atomistic simulations reveal that the preferential partitioning of magnesium dopants to the grain boundaries reduces the excess volume within this region which stabilizes the nanostructure. At low contents, the magnesium dopants are observed initially partition to the grain boundaries, but once saturation of the grain boundaries is reached, excess dopants are accommodated in the crystalline interiors. It is found that the addition of the magnesium dopants even in the dilute limit, enhances the strength of the nanocrystalline aluminum. The formation of large, disordered GBs in doped nanocrystalline aluminum under tensile load allowed it to accommodate the deformation and prohibit crack growth.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Isotope effects on the structural transformation and relaxation of deeply supercooled water

Herein, we have examined the structure of supercooled liquid D 2 O as a function of temperature between 185 and 255 K using pulsed laser heating to rapidly heat and cool the sample on a nanosecond timescale. The liquid structure can be represented as a linear combination of two structural motifs, with a transition between them described by a logistic function centered at 218 K with a width of 10 K. The relaxation to a metastable state, which occurred prior to crystallization, exhibited nonexponential kinetics with a rate that was dependent on the initial structural configuration. When the temperature is scaled by the temperature of maximum density, which is an isostructural point of the isotopologues, the structural transition and the non-equilibrium relaxation kinetics of D 2 O agree remarkably well with those for H 2 O.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Influence of saturable absorber saturation power, modulation depth and relaxation time on pulse parameters of a soliton fibre laser

The influence of the saturable absorber saturation power, modulation depth and relaxation time on the energy and shape of fibre soliton laser pulses has been studied by numerical simulation. The results suggest that the use of a saturable absorber with a lower saturation power in a fibre laser ensures pulsed lasing onset at a lower gain. The fibre laser pulse energy decreases as the saturation power of the absorber or the relaxation time of its open state increases at a constant gain coefficient. In addition, increasing the absorber saturation modulation depth at a constant gain coefficient has been shown to reduce the pulse peak power and energy. (control of laser radiation parameters)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

On the relationship between the multi-region relaxed variational principle and resistive inner-layer theory

We show that the variational energy principle of the multi-region relaxed magnetohydrodynamic (MRxMHD) model can be used to predict finite-pressure linear tearing instabilities. In this model, the plasma volume is sliced into sub-volumes separated by 'ideal interfaces', and in each volume the magnetic field relaxes to a Taylor state, where the pressure gradient $\nabla p = 0$. The MRxMHD model is implemented in the Stepped-Pressure Equilibrium Code (SPEC) so that the equilibrium solution in each region is computed while preserving the force balance across the interfaces. As SPEC computes the Hessian matrix (a discretized stability matrix), the stability of an MRxMHD equilibrium can also be computed with SPEC. In this article, using SPEC, we investigate the effect of local pressure gradients and the $\nabla p = 0$ in the vicinity of the resonant surface of a tearing mode. For low-beta plasma, we have been able to illustrate a relationship between the resistive singular-layer theory (Coppi et al 1966 Nucl. Fusion6 101; Glasser et al 1975 Phys. Fluids18 875–88) and the MRxMHD model. Within the singular layer, the volume-averaged magnetic helicity and the flux-averaged toroidal flux are shown to be the invariants for the linear tearing modes in SPEC simulations. Our technique to compute MRxMHD stability is first tested numerically in a cylindrical tokamak and its application in toroidal geometry is demonstrated. We demonstrate an agreement between the stability boundary obtained with SPEC simulation and the resistive inner-layer theories.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Slow spin relaxation in single endohedral fullerene molecules

Well-protected magnetization, tunable quantum states, and long spin-relaxation time are desired for the use of magnetic molecules in spintronics and quantum information technologies. In this work, endohedral fullerene molecules M@C 28 with different transition-metal cores were explored through systematic first-principles calculations and spin dynamics analyses. Many of them have bias-tunable structure, stable magnetization, and sizable magnetic anisotropy energy. Furthermore, some of them may have spin-relaxation time up to several milliseconds for their quantum spin states at high temperature (~10 K) after full consideration of spin-vibration couplings. In conclusion, our results suggest that these M@C 28 provide a rich pool of single-molecule magnets for diverse applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Relaxation mechanisms in a disordered system with Poisson-level statistics

Here we discuss the interplay between many-body localization and spin symmetry. To this end, we study the time evolution of several observables in the anisotropic t- j model. Like the Hubbard chain, the studied model contains charge and spin degrees of freedom, yet it has smaller Hilbert space and thus allows for numerical studies of larger systems. We compare the field disorder that breaks the $\mathbb{Z}_2$ spin symmetry and a potential disorder that preserves the latter symmetry. In the former case, sufficiently strong disorder leads to localization of all studied observables, at least for the studied system sizes. However, in the case of symmetry-preserving disorder, we observe that odd operators under the $\mathbb{Z}_2$ spin transformation relax towards the equilibrium value at relatively short timescales that grow only polynomially with the disorder strength. On the other hand, the dynamics of even operators and the level statistics within each symmetry sector are consistent with localization. Our results indicate that localization exists within each symmetry sector for symmetry-preserving disorder. Odd operators' apparent relaxation is due to their time evolution between distinct symmetry sectors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dielectric Relaxation by Quantum Critical Magnons

We report the experimental observation of dielectric relaxation by quantum critical magnons. Complex capacitance measurements reveal a dissipative feature with a temperature-dependent amplitude due to low-energy lattice excitations and an activation behavior of the relaxation time. The activation energy softens close to a field-tuned magnetic quantum critical point at H = H c and follows single-magnon energy for H > H c , showing its magnetic origin. Furthermore, our study demonstrates the electrical activity of coupled low-energy spin and lattice excitations, an example of quantum multiferroic behavior.

1-dimensional spin chains↗
DOE OSTI2021

Exactness of OPF Relaxation on Three-phase Radial Networks with Delta Connections

Simulations have shown that while semi-definite relaxations of AC optimal power flow (AC-OPF) on three-phase radial networks with only wye connections tend to be exact, the presence of delta connections seem to render them inexact. This paper shows that such inexactness originates from the non-uniqueness of relaxation solutions and numerical errors amplified by the non-uniqueness. This finding motivates two algorithms to recover the exact solution of AC-OPF in unbalanced distribution networks featuring both wye and delta connections. In simulations using IEEE 13, 37 and 123-bus systems, the proposed algorithms provide exact optimal solutions up to numerical precision.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Query relaxation for portable brick-based applications

Semantic metadata standards pave the way for interoperability by providing building operators and application developers with common schemes to describe building resources. Applications can query building metadata models to retrieve the set of entities and relationships they need to operate, instead of hard-coding references to specific points and objects from the underlying data sources. Currently, querying such models requires the developer to be very specific when formulating queries in order to obtain meaningful answers (or any answer). The developer is inevitably expected to be familiar with the systems and components of the buildings being queried, as well as the schema used to represent them. The variety of buildings - both in the composition of their subsystems and in how they happen to be modeled - means that the developer will need to use multiple queries in order to retrieve necessary results. This is complex, time-consuming and error-prone. To address this limitation, we investigate query relaxation as a technique to facilitate discovery of meaningful building resources in a collection of ontology-based buildings data. We evaluate our query relaxation approach over a set of Brick models and demonstrate its use in the context of real-world building applications.

Brick↗
DOE OSTI2022

Temperature Dependence of Structural Relaxation in Glass-Forming Liquids and Polymers

Understanding the microscopic mechanism of the transition of glass remains one of the most challenging topics in Condensed Matter Physics. What controls the sharp slowing down of molecular motion upon approaching the glass transition temperature T g , whether there is an underlying thermodynamic transition at some finite temperature below T g , what the role of cooperativity and heterogeneity are, and many other questions continue to be topics of active discussions. This review focuses on the mechanisms that control the steepness of the temperature dependence of structural relaxation (fragility) in glass-forming liquids. We present a brief overview of the basic theoretical models and their experimental tests, analyzing their predictions for fragility and emphasizing the successes and failures of the models. Special attention is focused on the connection of fast dynamics on picosecond time scales to the behavior of structural relaxation on much longer time scales. A separate section discusses the specific case of polymeric glass-forming liquids, which usually have extremely high fragility. We emphasize the apparent difference between the glass transitions in polymers and small molecules. We also discuss the possible role of quantum effects in the glass transition of light molecules and highlight the recent discovery of the unusually low fragility of water. At the end, we formulate the major challenges and questions remaining in this field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗