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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Transitory Topochemical Tailoring of a van der Waals Superconductor

Topochemical intercalation is widely used to access metastable phases with novel electronic properties, but the reverse reaction (deintercalation) typically restores the original state, limiting practical use. Here, in this study, we present a topochemical approach that employs a sacrificial intercalant that thermally decomposes to irreversibly lock in the new electronic state. Using 2-aminobutane as the sacrificial intercalant, we convert the van der Waals (vdW) material 1T-TiSe 2 into a superconductor and the vdW superconductor 2H-NbSe 2 into a nonsuperconducting metal, while preserving the ability to exfoliate the resulting crystals. We find that this transitory intercalation increases the electron density in both materials and partially suppresses the CDW in TiSe 2 . By tuning the thermolysis temperature, we can systematically vary the carrier density in TiSe 2 , enabling us to map its phase diagram. The superconductivity in TiSe 2 is retained in exfoliated flakes, although with a lower critical temperature. This transitory topochemical strategy enables access to new electronic states with precisely tuned carrier densities that are otherwise inaccessible through direct solid-state synthesis.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Accelerating x-ray tracing for exascale systems using Kokkos

The upcoming exascale computing systems Frontier and Aurora will draw much of their computing power from GPU accelerators. The hardware for these systems will be provided by AMD and Intel, respectively, each supporting their own GPU programming model. The challenge for applications that harness one of these exascale systems will be to avoid lock-in and to preserve performance portability. We report here on our results of using Kokkos to accelerate a real-world application on NERSC's Perlmutter Phase 1 (using NVIDIA A100 accelerators) and Crusher, the testbed system for OLCF's Frontier (using AMD MI250X). By porting to Kokkos, we successfully ran the same X-ray tracing code on both systems and achieved speed-ups between 13 % and 66 % compared to the original CUDA code. Finally, these results are a highly encouraging demonstration of using Kokkos to accelerate production science code.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Enhanced MPM framework with multipatch isogeometric analysis for geotechnical applications

Achieving stable stress solutions at large strains using the Material Point Method (MPM) is challenging due to the accumulation of errors associated with geometry discretization, cell-crossing noise, and volumetric locking. Several simplified attempts exist in the literature to mitigate these errors, including higher-order frameworks. However, the stability of the MPM solution in such frameworks has been limited to simple geometries and the single-phase formulation (i.e., neglecting pore fluid). Although never explored, multipatch isogeometric analysis offers desirable qualities to simulate complex geometries while mitigating errors in the MPM. The degree of required high-order spatial integration has also never been investigated to infer a minimum limit for the stability of the stress solution in MPM. This paper presents a general-purpose numerical framework for simulating stable stresses in porous media, capturing both near incompressibility and multiphase interactions. First, the numerical framework is presented considering Non-Uniform Rational B-splines (NURBS) to perform isogeometric analysis (IGA) in MPM. Additionally, a volumetric strain smoothing algorithm is used to alleviate errors associated with volumetric locking. Second, the manifestation of cell-crossing errors is assessed via a series of problems with orders ranging from linear to cubic interpolation functions. Third, the use of NURBS is investigated and verified for problems with circular geometries. Finally, multipatch analysis is deployed to simulate plane strain and 3D penetration in soils, considering nearly incompressible elastoplastic (total stress) analysis and fully-coupled hydro-mechanical (effective stress) analysis. The stability of the solution is also analyzed for different constitutive models. From the results, it can be concluded that the framework using cubic interpolation functions with strain smoothing is the most convenient, presenting stable stress solutions for a broad range of multiphase geotechnical applications.

58 GEOSCIENCES↗
DOE OSTI2025

Polarization and dynamic phases of aligning active matter in periodic obstacle arrays

Here, we numerically examine a system of monodisperse self-propelled particles interacting with each other via simple steric forces and aligning torques moving through a periodic array of obstacles. Without obstacles, this system shows a transition to a polarized or aligned state for critical alignment parameters. In the presence of obstacles, there is still a polarization transition, but for dense enough arrays, the polarization is locked to the symmetry directions of the substrate. When the obstacle array is made anisotropic, at low densities the particles can form a quasi-isotropic state where the system can be polarized in any of the dominant symmetry directions. For intermediate anisotropy, the particles self-organize into a coherent lane state with one-dimensional polarization. In this phase, a small number of highly packed lanes are adjacent to less dense lanes that have the same polarization, but lanes further away can have the opposite polarization, so that global polarization is lost. For the highest anisotropy, hopping between lanes is suppressed, and the system forms uniformly dense uncoupled but polarized lanes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Detecting Phase-Resolved Magnetization Dynamics by Magneto-Optic Effects at 1550 nm Wavelength

We demonstrate the detection of phase-resolved magnetization dynamics with combinatorial magneto-optic Kerr and Faraday effects. The method uses a continuous-wave laser that is amplitude-modulated at the spin dynamic frequencies, and thus allows for coherent tracking of the spin dynamics, akin a “lock-in” type measurement. In particular, our method, using a single 1550-nmwavelength, probes simultaneously the ferromagnetic resonance of Y 3 Fe 5 O 12 (YIG) and Permalloy (Py = Ni 80 Fe 20 ) in a YIG-Pyhetero structure. The fiber-based magneto-optic components also have the advantage of being made into a compact, tabletop or even portable system with yet robust measurement performances. We believe that our method will be found useful in studying hybrid quantum magnonic systems and/or investigating phase-resolved spin dynamics in nanomagnet structures involving both ferromagnetic insulators and metals.

42 ENGINEERING↗
DOE OSTI2024

GraphTango: A Hybrid Representation Format for Efficient Streaming Graph Updates and Analysis

Abstract Streaming graph processing performs batched updates and analytics on a time-evolving graph. The underlying representation format of the graph largely determines the throughputs of these updates and analytics phases. Existing representation formats usually employ variations of hash tables or adjacency lists. However, a recent study showed that the adjacency-list-based approaches perform poorly on heavy-tailed graphs, and the hash table-based approaches suffer on short-tailed graphs. We propose GraphTango, a hybrid representation format that provides excellent update and analytics throughput regardless of the graph’s degree distribution. GraphTango dynamically switches among three different formats based on a vertex’s degree: (i) Low-degree vertices store the edges directly with the neighborhood metadata, confining accesses to a single cache line, (2) Medium-degree vertices use adjacency lists, and (3) High-degree vertices use hash tables as well as adjacency lists. In this case, the adjacency list provides fast traversal during the analytics phase, while the hash table provides constant-time lookups during the update phase. We further optimized the performance by designing an open-addressing-based hash table that fully utilizes every fetched cache line. In addition, we developed a thread-local lock-free memory pool that allows fast growing/shrinking of the adjacency lists and hash tables in a multi-threaded environment. We evaluated GraphTango with the help of the SAGA-Bench framework and compared it with four other representation formats: Stinger, Degree-aware Robin Hood Hashing, and two adjacency list-based formats with different workload balancing scheme. On average, GraphTango provides 4.5x higher insertion throughput, 3.2x higher deletion throughput, and 1.1x higher analytics throughput over the next best format. Furthermore, we integrated GraphTango with the state-of-the-art graph processing frameworks DZiG and RisGraph. Compared to the vanilla DZiG and vanilla RisGraph , [ GraphTango + DZiG ] and [ GraphTango + RisGraph ] reduces the average batch processing time by 2.3x and 1.5x, respectively.

Ahmed, Alif↗
DOE OSTI2025

Injection locking and coupling dynamics in superconducting nanowire-based cryogenic oscillators

Oscillators designed to function at cryogenic temperatures play a critical role in superconducting electronics and quantum computing by providing stable, low-noise signals with minimal energy loss. Here, in this work, we present a comprehensive numerical study of injection locking and mutual coupling dynamics in superconducting nanowire (ScNW)-based cryogenic oscillators. Using the design space of a standalone ScNW-based oscillator, we investigate two critical mechanisms that govern frequency synchronization and signal coordination in cryogenic computing architectures: (1) injection locking induced by an external AC signal with a frequency near the oscillator's natural frequency, and (2) the mutual coupling dynamics between two ScNW oscillators under varying coupling strengths. We identify key design parameters—such as shunt resistance, nanowire inductance, and coupling strength—that govern the locking range. Additionally, we examine how the amplitude of the injected signal affects the amplitude of the locked oscillation, offering valuable insights for power-aware oscillator synchronization. Furthermore, we analyze mutual synchronization between coupled ScNW oscillators using capacitive and resistive coupling elements. Our results reveal that the phase difference between oscillators can be controlled by tuning the coupling strength, enabling programmable phase-encoded information processing. These findings could enable building ScNW-based oscillatory neural networks, synchronized cryogenic logic blocks, and on-chip cryogenic resonator arrays.

Artificial neural networks↗
DOE OSTI2023

Anisotropy of Electronic Spin Texture in the High-Temperature Cuprate Superconductor Bi 2 Sr 2 CaCu 2 O 8+δ

Seeking new order parameters and the related broken symmetry and studying their relationship with phase transition have been important topics in condensed matter physics. We report by using spin- and angle-resolved photoemission spectroscopy, we confirm the helical spin texture caused by spin-layer locking in the nodal region in the cuprate superconductor Bi 2 Sr 2 CaCu 2 O 8+δ and discover the anisotropy of spin polarizations at nodes along Γ–X and Γ–Y directions. The breaking of C 4 rotational symmetry in electronic spin texture may give deeper insights into understanding the ground state of cuprate superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Pandemic, War, and Global Energy Transitions

The COVID-19 pandemic and Russia’s war on Ukraine have impacted the global economy, including the energy sector. The pandemic caused drastic fluctuations in energy demand, oil price shocks, disruptions in energy supply chains, and hampered energy investments, while the war left the world with energy price hikes and energy security challenges. The long-term impacts of these crises on low-carbon energy transitions and mitigation of climate change are still uncertain but are slowly emerging. This paper analyzes the impacts throughout the energy system, including upstream fuel supply, renewable energy investments, demand for energy services, and implications for energy equity, by reviewing recent studies and consulting experts in the field. We find that both crises initially appeared as opportunities for low-carbon energy transitions: the pandemic by showing the extent of lifestyle and behavioral change in a short period and the role of science-based policy advice, and the war by highlighting the need for greater energy diversification and reliance on local, renewable energy sources. However, the early evidence suggests that policymaking worldwide is focused on short-term, seemingly quicker solutions, such as supporting the incumbent energy industry in the post-pandemic era to save the economy and looking for new fossil fuel supply routes for enhancing energy security following the war. As such, the fossil fuel industry may emerge even stronger after these energy crises creating new lock-ins. This implies that the public sentiment against dependency on fossil fuels may end as a lost opportunity to translate into actions toward climate-friendly energy transitions, without ambitious plans for phasing out such fuels altogether. We propose policy recommendations to overcome these challenges toward achieving resilient and sustainable energy systems, mostly driven by energy services.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Classical discrete time crystals

The spontaneous breaking of time-translation symmetry in periodically driven quantum systems leads to a new phase of matter: the discrete time crystal (DTC). This phase exhibits collective subharmonic oscillations that depend upon an interplay of non-equilibrium driving, many-body interactions and the breakdown of ergodicity. However, subharmonic responses are also a well-known feature of classical dynamical systems ranging from predator–prey models to Faraday waves and a.c.-driven charge density waves. This raises the question of whether these classical phenomena display the same rigidity characteristic of a quantum DTC. In this work, we explore this question in the context of periodically driven Hamiltonian dynamics coupled to a finite-temperature bath, which provides both friction and, crucially, noise. Focusing on one-dimensional chains, where in equilibrium any transition would be forbidden at finite temperature, we provide evidence that the combination of noise and interactions drives a sharp, first-order dynamical phase transition between a discrete time-translation invariant phase and an activated classical discrete time crystal (CDTC) in which time-translation symmetry is broken out to exponentially long timescales. Power-law correlations are present along a first-order line, which terminates at a critical point. We analyse the transition by mapping it to the locked-to-sliding transition of a d.c.-driven charge density wave. To conclude, building upon results from the field of probabilistic cellular automata, we conjecture the existence of classical time crystals with true long-range order, where time-translation symmetry is broken out to infinite times.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Silicon nitride stress-optic microresonator modulator for optical control applications

Modulation-based control and locking of lasers, filters and other photonic components is a ubiquitous function across many applications that span the visible to infrared (IR), including atomic, molecular and optical (AMO), quantum sciences, fiber communications, metrology, and microwave photonics. Today, modulators used to realize these control functions consist of high-power bulk-optic components for tuning, sideband modulation, and phase and frequency shifting, while providing low optical insertion loss and operation from DC to 10s of MHz. In order to reduce the size, weight and cost of these applications and improve their scalability and reliability, modulation control functions need to be implemented in a low loss, wafer-scale CMOS-compatible photonic integration platform. The silicon nitride integration platform has been successful at realizing extremely low waveguide losses across the visible to infrared and components including high performance lasers, filters, resonators, stabilization cavities, and optical frequency combs. Yet, progress towards implementing low loss, low power modulators in the silicon nitride platform, while maintaining wafer-scale process compatibility has been limited. Here we report a significant advance in integration of a piezo-electric (PZT, lead zirconate titanate) actuated micro-ring modulation in a fully-planar, wafer-scale silicon nitride platform, that maintains low optical loss (0.03 dB/cm in a 625 µm resonator) at 1550 nm, with an order of magnitude increase in bandwidth (DC - 15 MHz 3-dB and DC - 25 MHz 6-dB) and order of magnitude lower power consumption of 20 nW improvement over prior PZT modulators. The modulator provides a >14 dB extinction ratio (ER) and 7.1 million quality-factor (Q) over the entire 4 GHz tuning range, a tuning efficiency of 162 MHz/V, and delivers the linearity required for control applications with 65.1 dB·Hz 2/3 and 73.8 dB·Hz 2/3 third-order intermodulation distortion (IMD3) spurious free dynamic range (SFDR) at 1 MHz and 10 MHz respectively. We demonstrate two control applications, laser stabilization in a Pound-Drever Hall (PDH) lock loop, reducing laser frequency noise by 40 dB, and as a laser carrier tracking filter. This PZT modulator design can be extended to the visible in the ultra-low loss silicon nitride platform with minor waveguide design changes. This integration of PZT modulation in the ultra-low loss silicon nitride waveguide platform enables modulator control functions in a wide range of visible to IR applications such as atomic and molecular transition locking for cooling, trapping and probing, controllable optical frequency combs, low-power external cavity tunable lasers, quantum computers, sensors and communications, atomic clocks, and tunable ultra-low linewidth lasers and ultra-low phase noise microwave synthesizers.

Wang, Jiawei (ORCID:0000000257965220)↗
DOE OSTI2024

Quantification of locked mode instability triggered by a change in confinement

Abstract This work presents the first analysis of the disruptive locked mode (LM) triggered by the dynamics of a confinement change. It shows that, under certain conditions, the LM threshold during the transient is significantly lower than expected from steady states. We investigate the sensitivity to a controlled n = 1 error field (EF) activated prior to the L-H transition in the COMPASS tokamak, at q 95 ∼ 3, β N ∼ 1, and using EF coils on the high-field side of the vessel. A threshold for EF penetration subsequent to the L-H transition is identified, which shows no significant trend with density or applied torque, and is an apparent consequence of the reduced intrinsic rotation of the 2/1 mode during this transient phase. This finding challenges the assumption made in theoretical and empirical works that natural mode rotation can be predicted by global plasma parameters and urges against using any parametric EF penetration scaling derived from steady-state experiments to define the EF correction strategy in the entire discharge. Furthermore, even at EFs below the identified penetration threshold, disruptive locking of sawtooth-seeded 2/1 tearing modes is observed after about 30% of L-H transitions without external torque.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Error field measurements with rotating RMP fields for DIII-D H-mode

3D magnetic sensors are employed to identify the amplitude and toroidal phase of error fields (EF) by analyzing the torque balance for magnetic islands entrained by rotating resonant magnetic perturbations (RMPs) in DIII-D H-mode plasmas. This technique of torque balance allows for efficient error field identification, offering a valuable tool for scenario-specific and optimized error field compensation (EFC) and requires only magnetic diagnostics. The torque balance used in this work includes the contribution from electromagnetic torque due to error fields, wall response, RMP fields, and viscous. Results show that viscous torque plays a crucial role, particularly during locked modes and H-mode plasmas, ensuring accurate data fits with lower residuals. The torque balance technique reveals that the L- and H-mode plasmas have distinct EF configurations, and consistent with a model-based EF analysis including MHD response in IPEC and the SURFMN EF simulation. This technique shows great robustness in measuring the intrinsic EF amplitude regardless of its amplitude or toroidal phase. Repeated discharges with EFC disparities exhibit consistent results of intrinsic error field within a reasonable range near the “standard” error field compensation. Additionally, the use of a rotating n = 1 resonant magnetic perturbation offers the advantage of reducing disruption risks by entraining saturated magnetic islands. These findings are instrumental for optimizing EF correction in fusion devices, thereby enhancing tearing mode suppression and overall plasma stability.

3D magnetic sensors↗
DOE OSTI2020

Glide-resolved photoemission spectroscopy: Measuring topological invariants in nonsymmorphic space groups

The two classes of 3D, time-reversal-invariant insulators are known to subdivide into four classes in the presence of glide symmetry. Here, we extend this classification of insulators to include glide-symmetric Weyl metals and find a finer $\mathbb{Z}_4 ⊕\mathbb {Z}$ classification. We further elucidate the smoking-gun experimental signature of each class in the photoemission spectroscopy of surface states. Measuring the $\mathbb{Z}_4$ topological invariant by photoemission relies on identifying the glide representation of the initial Bloch state before photoexcitation—we show how this is accomplished with relativistic selection rules, combined with standard spectroscopic techniques to resolve both momentum and spin. In this work, our method relies on a spin-momentum locking that is characteristic of all glide-symmetric solids (inclusive of insulators and metals in trivial and topological categories). As an orthogonal application, given a glide-symmetric solid with an ideally symmetric surface, we may utilize this spin-momentum locking to generate a source of fully spin-polarized photoelectrons, which have diverse applications in solid-state spectroscopy. Our ab initio calculations predict Ba 2 Pb, stressed Na 3 Bi, and KHgSb to realize all three, nontrivial insulating phases in the $\mathbb{Z}_4$ classification.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Unexpected Short-period Variability in Dwarf Carbon Stars from the Zwicky Transient Facility

Dwarf carbon (dC) stars, main-sequence stars showing carbon molecular bands, are enriched by mass transfer from a previous asymptotic-giant-branch (AGB) companion, which has since evolved to a white dwarf. While previous studies have found radial-velocity variations for large samples of dCs, there are still relatively few dC orbital periods in the literature and no dC eclipsing binaries have yet been found. Here, we analyze photometric light curves from DR5 of the Zwicky Transient Facility for a sample of 944 dC stars. From these light curves, we identify 34 periodically variable dC stars. Remarkably, of the periodic dCs, 82% have periods less than two days. We also provide spectroscopic follow-up for four of these periodic systems, measuring radial velocity variations in three of them. Short-period dCs are almost certainly post-common-envelope binary systems, because the periodicity is most likely related to the orbital period, with tidally locked rotation and photometric modulation on the dC either from spots or from ellipsoidal variations. We discuss evolutionary scenarios that these binaries may have taken to accrete sufficient C-rich material while avoiding truncation of the thermally pulsing AGB phase needed to provide such material in the first place. We compare these dCs to common-envelope models to show that dC stars probably cannot accrete enough C-rich material during the common-envelope phase, suggesting another mechanism like wind-Roche lobe overflow is necessary. The periodic dCs in this paper represent a prime sample for spectroscopic follow-up and for comparison to future models of wind-Roche lobe overflow mass transfer.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The shock physics of giant impacts: Key requirements for the equations of state

We discuss major challenges in modeling giant impacts between planetary bodies, focusing on the equations of state (EOS). During the giant impact stage of planet formation, rocky planets are melted and partially vaporized. However, most EOS models fail to reproduce experimental constraints on the thermodynamic properties of the major minerals over the required phase space. Here, we present an updated version of the widely-used ANEOS model that includes a user-defined heat capacity limit in the thermal free energy term. Our revised model for forsterite (Mg 2 SiO 4 ), a common proxy for the mantles of rocky planets, provides a better fit to material data over most of the phase space of giant impacts. We discuss the limitations of this model and the Tillotson equation of state, a commonly used alternative model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Single-shot picosecond pump coherent Rayleigh scattering thermometry

A single-shot coherent Rayleigh scattering (CRS) technique capable of measurement times less than 10 ns is presented. Here, the use of a mode-locked picosecond pump laser yields repeatable electrostrictive forcing compared to previous CRS experiments using unseeded nanosecond pump pulses, which are beset by shot-to-shot variations. Quantitative measurements are achieved by dispersing the CRS signal onto an EMCCD sensor using a virtually imaged phased array and comparing the experimental spectra to an existing kinetic model with a least-squares fitting routine. Measurements are demonstrated at ambient and low-pressure (2 Torr), low-temperature (100 K) conditions where the CRS measurement is within the collisionless regime. Single-shot statistics indicated precision and accuracy within 4% at ambient conditions and within 8% at low density and temperature conditions. This single-shot CRS technique is a powerful diagnostic tool with potential for multi-parameter measurements in complex flow environments, including high-speed aerodynamic ground test facilities.

Senior, William Charles Bowman [Sandia National La↗
DOE OSTI2024

Recent Insights Into Interfacial Transport and Chemical Reactions of Plasma–Generated Species in Liquid

The chemistry of plasma–liquid interactions involves a complex interplay of physical and chemical processes at the plasma–liquid interface. These interactions give rise to the generation, transport, and transformation of various reactive species. Since the publication of the Lorenz Roadmap in 2016, significant progress has been made in understanding the interfacial transport and coupled reactions of plasma-generated species with inorganic and organic compounds. However, critical aspects of plasma–liquid chemistry and mass transfer still require further investigation. Here, this review summarizes recent work on processes at the plasma–liquid interface and the coupled reactions in the liquid phase. We highlight key findings related to the involvement of O atoms, H radicals, solvated electrons, photons, and nitrogen-derived species at the interface and within the bulk liquid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗