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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Light-induced ferromagnetism in moiré superlattices

Many-body interactions between carriers lie at the heart of correlated physics. The ability to tune such interactions would allow the possibility to access and control complex electronic phase diagrams. Recently, two-dimensional moiré superlattices have emerged as a promising platform for quantum engineering such phenomena. The power of the moiré system lies in the high tunability of its physical parameters by adjusting the layer twist angle, electrical field, moiré carrier filling and interlayer coupling. In this work, we report that optical excitation can highly tune the spin–spin interactions between moiré-trapped carriers, resulting in ferromagnetic order in WS 2 /WSe 2 moiré superlattices. Near the filling factor of v = 1/3 (that is, one hole per three moiré unit cells), as the excitation power at the exciton resonance increases, a well-developed hysteresis loop emerges in the reflective magnetic circular dichroism signal as a function of magnetic field, a hallmark of ferromagnetism. The hysteresis loop persists down to charge neutrality, and its shape evolves as the moiré superlattice is gradually filled, indicating changes of magnetic ground state properties. The observed phenomenon points to a mechanism in which itinerant photoexcited excitons mediate exchange coupling between moiré-trapped holes. This exciton-mediated interaction can be of longer range than direct coupling between moiré-trapped holes, and thus magnetic order arises even in the dilute hole regime. This discovery adds a dynamic tuning knob to the rich many-body Hamiltonian of moiré quantum matter.

36 MATERIALS SCIENCE↗
DOE OSTI2020

JETSCAPE framework: p+p results

The JETSCAPE framework is a modular and versatile Monte Carlo software package for the simulation of high energy nuclear collisions. In this work we present a new tune of JETSCAPE, called PP19, and validate it by comparison to jet-based measurements in p + p collisions, including inclusive single jet cross sections, jet shape observables, fragmentation functions, charged hadron cross sections, and dijet mass cross sections. These observables in p+p collisions provide the baseline for their counterparts in nuclear collisions. Quantifying the level of agreement of JETSCAPE results with p+p data is thus necessary for meaningful applications of JETSCAPE to A+A collisions. The calculations use the JETSCAPE PP19 tune, defined in this paper, based on version 1.0 of the JETSCAPE framework. For the observables discussed in this work calculations using JETSCAPE PP19 agree with data over a wide range of collision energies at a level comparable to standard Monte Carlo codes. These results demonstrate the physics capabilities of the JETSCAPE framework and provide benchmarks for JETSCAPE users.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Evaluation of an event-driven 3FI ASIC for spectroscopic X-ray detection with synchrotron radiation

The novel design and evaluation on the NSLS-II beamline of the 3FI application-specific integrated circuit (ASIC) bump-bonded to a simple, planar, 2D segmented silicon sensor are presented. The ASIC was developed for full-field fluorescence spectral X-ray imaging (3FI). It is a small-scale prototype that features a square array of 32 × 32 pixels, and the size of the pixels is 100 µm × 100 µm. The ASIC was implemented in a 65 nm CMOS integrated circuit fabrication process. Each pixel incorporates a charge-sensitive amplifier, a shaping filter, a discriminator, a peak detector and a sample-and-hold circuit, allowing detection of events and storage of signal amplitudes. The system operates in a frameless event-driven readout mode, outputting analog values for threshold-triggered events, allowing high-speed multi-element X-ray fluorescence data acquisition. The 3FI ASIC achieves per-channel spectrometric performance at a power consumption of only 200 µW per pixel, with nearly all dissipation confined to the analog front-end. An energy resolution is measured at the level of 308 eV full width at half-maximum (FWHM) at 8.04 keV (Cu Kα), and 138 eV FWHM at 3.69 keV (Ca Kα). This per-pixel capability makes the prototype suitable for in situ trace element microanalysis in biological and environmental studies. Moreover, the frameless architecture of the detector is designed to address limitations of conventional X-ray fluorescence microscopy, which typically requires mechanical scanning, by enabling continuous high-throughput data acquisition in future full-field implementations.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

OPALCO - Decatur Island Solar and Energy Storage Project: An Assessment of Battery Technical Performance

Orcas Power & Light Cooperative (OPALCO) is a member-owned, nonprofit cooperative utility that provides energy services to approximately 11,200 customers across 20 islands in San Juan County, Washington. OPALCO’s mostly hydroelectric power is generated by Bonneville Power Administration and delivered to the islands by submarine cables. In 2016, as part of the second round of funding from the Washington state Clean Energy Fund, OPALCO received a $1 million matching grant to support a project that deployed a 504-kW LG community photovoltaic (PV) system in combination with a 1 MW/2 MWh lithium-iron-phosphate battery energy storage system (BESS) on Decatur Island, Washington. The Decatur Island Substation is essential to ensuring reliable energy for the residents of the San Juan Islands as it is the point of interconnection with the mainland transmission system. The BESS, in combination with the community solar array, will deliver an innovative method to both defer the costly upgrade of the transmission system and allow for other high-value applications intended to benefit the utility and its customers. In 2018, Pacific Northwest National Laboratory (PNNL) completed a preliminary economic assessment for several identified use cases in collaboration with OPALCO. Between August 2021 and May 2022, extensive testing was conducted, and the results were used to assess the technical performance of the BESS subjected to actual field operations. Both reference performance and use case tests were performed: (a) Reference performance tests assess the general technical capabilities of the BESS, such as energy capacity, round-trip efficiency (RTE), ramp rate, and signal tracking capability. These are the first tests performed (baseline) and are repeated after use case tests (post cycle). A standardized U.S. Department of Energy (DOE) energy storage performance protocol was used to characterize the BESS, including representative duty cycle profiles, test procedure guidance, and calculation guidance for determining key characteristics. (b) Use case tests examine the performance of the BESS for specific use cases using duty cycles developed by PNNL in collaboration with OPALCO. Four use cases were selected for testing: 1) demand charge reduction, 2) load shaping, 3) outage mitigation, and 4) transmission deferral. The use case duty cycles were developed based on utility and site-specific characteristics in addition to the technical characteristics and physical capabilities of the BESS. Use case tests were performed between the baseline and post cycle tests. This report describes the BESS and its components, presents testing and performance analysis results, and shares key insights and lessons learned from this project. Outcomes of the tests and analyses will help OPALCO understand the performance of the Decatur Island BESS in its current state and design appropriate operational strategies for this and other BESSs over the long term.

14 SOLAR ENERGY↗
DOE OSTI2020

Multiplicity and pseudo-rapidity density distributions of charged particles produced in pp, pA and AA collisions at RHIC & LHC energies

Multiplicity and pseudorapidity (η) density (d N ch /dη) distributions of charged hadrons provide key information towards understanding the particle production mechanisms and initial conditions of high-energy heavy-ion collisions. However, detector constraints limit the η-range across which charged particle measurements can be carried out. Extrapolating the measured distributions to large η-range by parameterizing measured distributions and by using calculations from event generators, we characterize the production of charged particles over the full kinematic range. In the present study, we use three different ansätze to obtain quantitative descriptions of the shape of pseudorapidity distributions of charged hadrons produced in pp, p–A, and A–A collisions for beam energies ( s NN ) ranging from a few GeV to a few TeV corresponding to RHIC and LHC energies. We study the limiting fragmentation behavior in these collisions and report evidence for participant-scaling violations in high-energy collisions at the TeV scale. We additionally examine measured pseudorapidity distributions to constrain models describing initial conditions of particle production. We predict the centrality dependence of charged particle multiplicity distributions at FAIR and NICA energies and give an estimation of charged particle multiplicity at η = 0 for the proposed HE-LHC and FCC energies.

Physics↗
DOE OSTI2021

Noise and error analysis and optimization in particle-based kinetic plasma simulations

In this paper we analyze the noise in macro-particle methods used in plasma physics and fluid dynamics, leading to approaches for minimizing the total error, focusing on electrostatic models in one dimension. We begin by describing kernel density estimation for continuous values of the spatial variable x, expressing the kernel in a form in which its shape and width are represented separately. The covariance matrix of the noise in the density is computed, first for uniform true density. The bandwidth of the covariance matrix C(x,y) is related to the width of the kernel. A feature that stands out is the presence of constant negative terms in the elements of the covariance matrix both on and off-diagonal. These negative correlations are related to the fact that the total number of particles is fixed at each time step; they also lead to the property ∫C(x,y)dy = 0. We investigate the effect of these negative correlations on the electric field computed by Gauss's law, finding that the noise in the electric field is related to a process called the Ornstein-Uhlenbeck bridge, leading to a covariance matrix of the electric field with variance significantly reduced relative to that of a Brownian process. For non-constant density, p(x), still with continuous x, we analyze the total error in the density estimation and discuss it in terms of bias-variance optimization (BVO). For some characteristic length l, determined by the density and its second derivative, and kernel width h, having too few particles within h leads to too much variance; for h that is large relative to l, there is too much smoothing of the density. The optimum between these two limits is found by BVO. For kernels of the same width, it is shown that this optimum (minimum) is weakly sensitive to the kernel shape. Next, we repeat the analysis for x discretized on a grid. In this case the charge deposition rule is determined by a particle shape. An important property to be respected in the discrete system is the exact preservation of total charge on the grid; this property is necessary to ensure that the electric field is equal at both ends, consistent with periodic boundary conditions. We find that if the particle shapes satisfy a partition of unity property, the particle charge deposited on the grid is conserved exactly. Further, if the particle shape is expressed as the convolution of a kernel with another kernel that satisfies the partition of unity, then the particle shape obeys the partition of unity. This property holds for kernels of arbitrary width, including widths that are not integer multiples of the grid spacing. Furthermore, we show results relaxing the approximations used to do BVO optimization analytically, by doing numerical computations of the total error as a function of the kernel width, on a grid in x. The comparison between numerical and analytical results shows good agreement over a range of particle shapes. We discuss the practical implications of our results, including the criteria for design and implementation of computationally efficient particle shapes that take advantage of the developed theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Advanced blade-shaped thermal energy storage device: Development and application

Thermal energy storage (TES) using phase change materials (PCMs) is a promising approach for capturing and reusing excess thermal energy, yet widespread adoption is limited by low thermal conductivity, bulky configurations, and inadequate scalability. Here, this study presents a modular, blade-shaped TES prototype designed to address these challenges. The device integrates a lightweight aluminum shell, an embedded serpentine coil for active or passive heat exchange, and a cost-effective corrugated metal mesh for enhanced PCM thermal conductivity. With thickness-to-length and thickness-to-width ratios of 0.03 and 0.08, respectively, the blade-shaped TES achieves a compact, modular form factor suitable for space-constrained applications. Experimental testing demonstrated the efficient charge and discharge behavior of blade-shaped TES, capturing PCM superheating, phase-change transitions, and subcooling dynamics, with charging and discharging efficiencies of 94.9% and 94.6%, respectively. Also, the system can potentially achieve higher energy density than that of conventional TES designs. When integrated into a household refrigerator during the study, three blade-shaped TES modules successfully shifted 100% of peak-time compressor operation to off-peak hours, reducing energy consumption while maintaining more stable compartment temperatures. The blade-shaped TES's thin geometry, modularity, and enhanced thermal performance support scalable deployment across residential, commercial, and industrial applications, providing a versatile, cost-effective solution for high-efficiency, demand-flexible thermal energy management.

Blade-shaped↗
DOE OSTI2023

Large-volume CdZnTe bar detectors characterized by laser-induced transient currents

In this work, we studied the free-carrier transport properties and space-charge formation/polarization in a CdZnTe bar-shaped radiation detector using the Laser-Induced Transient Current technique. We found out that a steady-state space charge ranging from 8 x 10 8 to 2.1 x 10 9 cm -3 is formed throughout the detector at about 0.5 s following biasing. The measured current waveforms were modeled by Monte Carlo simulations after taking into account the electric and weighting fields inside the detector and shielding box. Modeling of the unpolarized waveforms revealed an exceptionally high electron mobility-lifetime product μ e τ e ≥0.095cm 2 V -1 . The observed formation of positive space charge in the biased detector and linear scaling of the current waveform shapes on applied bias revealed that the detector polarization is attributed to carrier injection at the anode. In conclusion, measurements in pulsed and DC bias in modified electrode geometry proved the surface-charge formation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Molecular-Level Insights into the Influence of Ionic Liquids on the Structure and Dynamics of Neutral and Charged Polyimides

We use all-atom molecular dynamics simulations to investigate how increasing ionic functionalization influences polyimide (PI) behavior in ionic liquid (IL) solvation environments. Here, we examine three polymer systems with varying charge densities: a neutral polyimide [N−PI] containing imidazole rings and progressively introduce charge through quaternization to create singly [C−PI] + and doubly charged [C−2PI] 2+ variants across a wide range of IL concentration (0−90 wt %). Through comprehensive structural, mechanical, and electrostatic analyses, we reveal that polymer charge density plays a central role in shaping IL organization and interaction with the polymer matrix. At low IL content, charged systems exhibit strong electrostatic complexation, leading to chain compaction, localized ESP environments, and elevated dielectric constants. As IL concentration increases, the effect of the different polymer charge states becomes less significant. Notably, an intermediate composition regime at approximately 50 wt % IL is associated with changes in IL-rich domain connectivity and overall system behavior across all three PI systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Curvature Memory in Electrically Stimulated Lipid Membranes

Here, we demonstrate, using non-equilibrium molecular dynamics simulations, that lipid membrane capacitance varies with surface charge accumulation linked to membrane shape and curvature changes. Specifically, we show that lipid membranes exhibit a hysteretic response when exposed to oscillatory electric fields. The electromechanical coupling in these membranes leads to hysteretic buckling, in which the membrane can spontaneously buckle in one of two distinct directions along the electric field, even for the same ionic charge accumulation at the water–membrane interface. In this regard, these binary buckled membrane states suggest potential applications in neuromorphic computing. Their bistable nature, characterized by two distinct and stable configurations, could serve as a foundation for implementing memory storage systems and logic operations. Furthermore, we introduce a circuit model that captures these dynamic effects, offering insights into emergent memory effects in electrically stimulated lipid membranes. Finally, this work presents lipid bilayers as dynamic, adaptable elements and suggests a new platform for exploring energy storage, information processing, and memory encoding at the lipid membrane level.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Muon-induced fission as a probe of the underlying dynamics in nuclear fission

Muon-induced fission could be utilized as a probe to study the underlying dynamics of nuclear fission. Here, the probability of muon attachment to the light asymmetric fission fragment is sensitive to fission dynamics, such as the timescale and friction of the fission event, charge asymmetry, and possibly the shape of the fission fragments. We focus on muonic atoms that are formed with actinide nuclei. A relativistic approach is employed, solving the Dirac equation for the muonic wave function in the presence of a time-dependent electromagnetic field generated by the fissioning nucleus. Computations are carried out on a three-dimensional Cartesian lattice with no symmetry assumptions. The results show a strong dependence of the attachment probability on the fission charge asymmetry and a more modest dependence on friction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Shape-persistent ladder molecules exhibit nanogap-independent conductance in single-molecule junctions

Molecular electronic devices require precise control over the flow of current in single molecules. However, the electron transport properties of single molecules critically depend on dynamic molecular conformations in nanoscale junctions. Here, in this work, we report a unique strategy for controlling molecular conductance using shape-persistent molecules. Chemically diverse, charged ladder molecules, synthesized via a one-pot multicomponent ladderization strategy, show a molecular conductance (d[log( G/G 0 )]/d x ≈ -0.1 nm -1 ) that is nearly independent of junction displacement, in stark contrast to the nanogap-dependent conductance (d[log( G/G 0 )]/d x ≈ -7 nm -1 ) observed for non-ladder analogues. Ladder molecules show an unusually narrow distribution of molecular conductance during dynamic junction displacement, which is attributed to the shape-persistent backbone and restricted rotation of terminal anchor groups. These principles are further extended to a butterfly-like molecule, thereby demonstrating the strategy's generality for achieving gap-independent conductance. Overall, our work provides important avenues for controlling molecular conductance using shape-persistent molecules. Achieving robust and controllable conductance in single-molecule junctions is challenging due to the dynamic nature of molecular conformations that fluctuate over operational timescales. A strategy using shape-persistent molecules has now been developed that demonstrates nearly junction-displacement-independent conductance, providing a stable solution for single-molecule electronic properties.

molecular electronics↗
DOE OSTI2022

Understanding the Role of Order in Y‐Series Non‐Fullerene Solar Cells to Realize High Open‐Circuit Voltages

Abstract Non‐fullerene acceptors (NFAs) as used in state‐of‐the‐art organic solar cells feature highly crystalline layers that go along with low energetic disorder. Here, the crucial role of energetic disorder in blends of the donor polymer PM6 with two Y‐series NFAs, Y6, and N4 is studied. By performing temperature‐dependent charge transport and recombination studies, a consistent picture of the shape of the density of state distributions for free charges in the two blends is developed, allowing an analytical description of the dependence of the open‐circuit voltage V OC on temperature and illumination intensity. Disorder is found to influence the value of the V OC at room temperature, but also its progression with temperature. Here, the PM6:Y6 blend benefits substantially from its narrower state distributions. The analysis also shows that the energy of the equilibrated free charge population is well below the energy of the NFA singlet excitons for both blends and possibly below the energy of the populated charge transfer manifold, indicating a down‐hill driving force for free charge formation. It is concluded that energetic disorder of charge‐separated states has to be considered in the analysis of the photovoltaic properties, even for the more ordered PM6:Y6 blend.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Morphology Effects on Free Energies of Proton-Coupled Electron Transfer in Polyoxotungstates

Polyoxotungstates have previously been established to facilitate the hydrogenation of small molecule substrates via hydrogen atom transfer from reactive hydroxyl groups formed at the assembly surface. Understanding structure−function relationships that dictate the thermochemistry and kinetics of protoncoupled electron transfer is key to controlling this chemistry. In this work, we combine comprehensive electrochemical experiments and density functional theory calculations to address how different polyoxotungstate morphologies, specifically W 6 O 19 −2 , W 10 O 32 −4 , SiW 12 O 40 −4 , and P 2 W 18 O 62 −6 , affect the bond dissociation free energies of surface hydroxides (BDFE(O−H)) formed upon reduction of the assembly in acidic media. Our results reveal increasing hydroxide bond strengths with increasing cluster size, and that anisotropic cluster geometries result in substantial thermodynamic differentiation of H-binding sites. We demonstrate an excellent agreement between theory and experiments on the reported BDFE(O−H) values and, importantly, we elucidate how cluster size and shape affect electronic properties (local charges and frontier molecular orbitals), giving rise to sites with increased preference for hydrogen binding, demonstrated in higher BDFE(O−H). Overall, this work aids the understanding and design of polyoxometalates exhibiting surface sites with tailored interaction strengths.

anions↗
DOE OSTI2020

Magnetic and superconducting anisotropy in Ni-doped RbEuFe 4 As 4 single crystals

We investigate the effect of Ni doping on the Fe site in single crystals of the magnetic superconductor RbEuFe 4 As 4 for doping concentrations of up to 4%. A clear suppression in the superconducting transition temperature is observed in specific-heat, resistivity, and magnetization measurements. Upon Ni doping, the resistivity curves shift up in a parallel fashion, indicating a strong increase of the residual resistivity due to scattering by charged dopant atoms while the shape of the curve and thus the electronic structure appear largely unchanged. The observed step Delta C/T c at the superconducting transition decreases strongly for increasing Ni doping in agreement with expectations based on a model of multiband superconductivity and strong interband pairing. The upper critical field slopes are reduced upon Ni doping for in-plane as well as out-of-plane fields, leading to a small reduction in the superconducting anisotropy. The specific-heat measurements of the magnetic transition reveal the same Berezinskii-Kosterlitz-Thouless behavior close to the transition temperature T m for all doping levels. The transition temperature is essentially unchanged upon doping. The in-plane to out-of-plane anisotropy of Eu magnetism observed at small magnetic fields is unaltered as compared to the undoped compound. In conclusion, all of these observations indicate a decoupling of the Eu magnetism from superconductivity and essentially no influence of Ni doping on the Eu magnetism in this compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Anapole moment of neutrinos and radioactive sources near liquid xenon detectors

We show that placing a radioactive source such as 51 Cr near a liquid xenon detector may allow us to detect the contribution induced by the anapole moment to neutrino-electron scattering in the Standard Model (SM) at the 1 − 2⁢𝜎 level. Although the anapole moment of neutrinos induces a scattering rate with the same spectral shape as the neutral and charged current contributions, exposures of ∼ 60 ton × source run at XENONnT or XLZD may be enough to accumulate sufficient statistics for a detection. We also discuss a simple model where the anapole moment of neutrinos is enhanced or decreased with respect to the SM expectation, further demonstrating how a potential measurement of the anapole moment of neutrinos would allow us to constrain new physics.

dark matter direct detection↗
DOE OSTI2024

Femtoscopic correlations of identical charged pions and kaons in $pp$ collisions at $\sqrt{s}$ = 13 TeV with event-shape selection

Collective behavior has been observed in high-energy heavy-ion collisions for several decades. Collectivity is driven by the high particle multiplicities that are produced in these collisions. At the CERN Large Hadron Collider (LHC), features of collectivity have also been seen in high-multiplicity proton-proton collisions that can attain particle multiplicities comparable to peripheral Pb-Pb collisions. One of the possible signatures of collective behavior is the decrease of femtoscopic radii extracted from pion and kaon pairs emitted from high-multiplicity collisions with increasing pair transverse momentum. This decrease can be described in terms of an approximate transverse mass scaling. In the present work, femtoscopic analyses are carried out by the ALICE Collaboration on charged pion and kaon pairs produced in pp collisions at $\sqrt{s}$=13TeV from the LHC to study possible collectivity in pp collisions. The event-shape analysis method based on transverse sphericity is used to select for spherical versus jetlike events, and the effects of this selection on the femtoscopic radii for both charged pion and kaon pairs are studied. This is the first time this selection method has been applied to charged kaon pairs. An approximate transverse-mass scaling of the radii is found in all multiplicity ranges studied when the difference in the Lorentz boost for pions and kaons is taken into account. This observation does not support the hypothesis of collective expansion of hot and dense matter that should only occur in high-multiplicity events. A possible alternate explanation of the present results is based on a scenario of common emission conditions for pions and kaons in pp collisions for the multiplicity ranges studied.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Capacity and Coulombic Efficiency Measurements Underestimate the Rate of SEI Growth in Silicon Anodes

Capacity measurements and related quantities are the first layer of information acquired during testing of Li-ion cells. It is generally considered that elevated values of coulombic efficiency and capacity retention are absolute indicators of the existence of a stable solid electrolyte interphase (SEI). Here, we challenge this notion by analyzing how the effect of side reactions on cell capacity depends on the choice of electrodes. More specifically, we demonstrate that the extent of measurable capacity fade due to SEI growth is modulated by the shape of the voltage profile of the cathode and anode at the end of charge and discharge half-cycles. This shape-dependency creates a mismatch between SEI growth and cell capacity loss, which is relatively small for graphite anodes but sizable for silicon-containing electrodes. We illustrate this point by showing that, at the same coulombic efficiency and capacity retention, cells containing silicon-based materials could actually exhibit rates of SEI growth that are as much as ≥ 40% higher than graphite cells. The main implication of this behavior is that, for certain systems, capacity measurements may be an unreliable source of information about the extent of reactions at the SEI, allowing other consequences of these side reactions (such as electrolyte depletion) to proceed unchecked while the cell appears to be stable.

25 ENERGY STORAGE↗