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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

An interface-controlled Mott memristor in α -RuCl 3

Memristor devices have history-dependent charge transport properties that are ideal for neuromorphic computing applications. We reveal a memristor material and mechanism in the layered Mott insulator α-RuCl 3 . The pinched hysteresis loops and S-shaped negative differential resistance in bulk crystals verify memristor behavior and are attributed to a nonlinear coupling between charge injection over a Schottky barrier at the electrical contacts and concurrent Joule heating. Direct simulations of this coupling can reproduce the device characteristics.

Physics↗
DOE OSTI2021

Production of pions, kaons, (anti-)protons and ϕ mesons in Xe–Xe collisions at $\sqrt{s_{NN}}$ = 5.44 TeV

The first measurement of the production of pions, kaons, (anti-)protons and ϕ mesons at midrapidity in Xe–Xe collisions at $\sqrt{s_{NN}}$ = 5.44 TeV is presented. Transverse momentum (p T ) spectra and p T -integrated yields are extracted in several centrality intervals bridging from p–Pb to mid-central Pb–Pb collisions in terms of final-state multiplicity. The study of Xe–Xe and Pb–Pb collisions allows systems at similar charged-particle multiplicities but with different initial geometrical eccentricities to be investigated. A detailed comparison of the spectral shapes in the two systems reveals an opposite behaviour for radial and elliptic flow. In particular, this study shows that the radial flow does not depend on the colliding system when compared at similar charged-particle multiplicity. In terms of hadron chemistry, the previously observed smooth evolution of particle ratios with multiplicity from small to large collision systems is also found to hold in Xe–Xe. In addition, our results confirm that two remarkable features of particle production at LHC energies are also valid in the collision of medium-sized nuclei: the lower proton-to-pion ratio with respect to the thermal model expectations and the increase of the ϕ-to-pion ratio with increasing final-state multiplicity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Imaging Quantum Interference in Stadium-Shaped Monolayer and Bilayer Graphene Quantum Dots

Experimental realizations of graphene-based stadium-shaped quantum dots (QDs) have been few and have been incompatible with scanned probe microscopy. Yet, the direct visualization of electronic states within these QDs is crucial for determining the existence of quantum chaos in these systems. Here we report the fabrication and characterization of electrostatically defined stadium-shaped QDs in heterostructure devices composed of monolayer graphene (MLG) and bilayer graphene (BLG). To realize a stadium-shaped QD, we utilized the tip of a scanning tunneling microscope to charge defects in a supporting hexagonal boron nitride flake. The stadium states visualized are consistent with tight-binding-based simulations but lack clear quantum chaos signatures. The absence of quantum chaos features in MLG-based stadium QDs is attributed to the leaky nature of the confinement potential due to Klein tunneling. In contrast, for BLG-based stadium QDs (which have stronger confinement) quantum chaos is precluded by the smooth confinement potential which reduces interference and mixing between states.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Enhanced cutoff energies for direct and rescattered strong-field photoelectron emission of plasmonic nanoparticles

Abstract The efficient generation, accurate detection, and detailed physical tracking of energetic electrons are of applied interest for high harmonics generation, electron-impact spectroscopy, and femtosecond time-resolved scanning tunneling microscopy. We here investigate the generation of photoelectrons (PEs) by exposing plasmonic nanostructures to intense laser pulses in the infrared (IR) spectral regime and analyze the sensitivity of PE spectra to competing elementary interactions for direct and rescattered photoemission pathways. Specifically, we measured and numerically simulated emitted PE momentum distributions from prototypical spherical gold nanoparticles (NPs) with diameters between 5 and 70 nm generated by short laser pulses with peak intensities of 8.0 × 10 12 and 1.2 × 10 13 W/cm 2 , demonstrating the shaping of PE spectra by the Coulomb repulsion between PEs, accumulating residual charges on the NP, and induced plasmonic electric fields. Compared to well-understood rescattering PE cutoff energies for strong-field photoemission from gaseous atomic targets (10× the ponderomotive energy), our measured and simulated PE spectra reveal a dramatic cutoff-energy increase of two orders of magnitude with a significantly higher contribution from direct photoemission. Our findings indicate that direct PEs reach up to 93 % of the rescattered electron cutoff energy, in contrast to 20 % for gaseous atoms, suggesting a novel scheme for the development of compact tunable tabletop electron sources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Ultrafast snapshots of terahertz electric potentials across ring-shaped quantum barriers

Probing the time evolution of the terahertz electric field within subwavelength dimensions plays a crucial role in observing the nanoscale lightwave interactions with fundamental excitations in condensed-matter systems and in artificial structures, such as metamaterials. Here, we propose a novel probing method for measuring terahertz electric potentials across nanogaps using a combination of optical and terahertz pulse excitations. To achieve this, we employ ring-shaped nanogaps that enclose a metallic island, allowing us to capture tunneling charges when subjected to terahertz electromagnetic pulse illumination. By controlling and manipulating the terahertz tunneling charges through a focused optical gate pulse, we can obtain the terahertz potential strength as a function of spatial coordinates and time delays between pulses. To accurately quantify the time evolution of terahertz electric potential across quantum barriers, we carefully calibrate the recorded nonlinear tunneling current. Its on-resonance and off-resonance behaviors are also discussed, providing valuable insights into the antenna’s characteristics and performance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Envisioning Science in 2050

To explore future-focused questions that could impact the future of DOE, a Community of Interest (COI) on Future Scientific Methodologies, sponsored by the Office of Advanced Scientific Computing Research (ASCR), was held over three non-consecutive days in November 2020. The COI’s charge was to create a vision for how future computational fabrics might shape, and be shaped by, scientific and technological advances over the next 10 to 30 years.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Effect of Delta and Omicron Mutations on the RBD-SD1 Domain of the Spike Protein in SARS-CoV-2 and the Omicron Mutations on RBD-ACE2 Interface Complex

The receptor-binding domain (RBD) is the essential part in the Spike-protein (S-protein) of SARS-CoV-2 virus that directly binds to the human ACE2 receptor, making it a key target for many vaccines and therapies. Therefore, any mutations at this domain could affect the efficacy of these treatments as well as the viral-cell entry mechanism. We introduce ab initio DFT-based computational study that mainly focuses on two parts: (1) Mutations effects of both Delta and Omicron variants in the RBD-SD1 domain. (2) Impact of Omicron RBD mutations on the structure and properties of the RBD-ACE2 interface system. The in-depth analysis is based on the novel concept of amino acid-amino acid bond pair units (AABPU) that reveal the differences between the Delta and/or Omicron mutations and its corresponding wild-type strain in terms of the role played by non-local amino acid interactions, their 3D shapes and sizes, as well as contribution to hydrogen bonding and partial charge distributions. Our results also show that the interaction of Omicron RBD with ACE2 significantly increased its bonding between amino acids at the interface providing information on the implications of penetration of S-protein into ACE2, and thus offering a possible explanation for its high infectivity. Our findings enable us to present, in more conspicuous atomic level detail, the effect of specific mutations that may help in predicting and/or mitigating the next variant of concern.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Optimization of R290 variable geometry heat exchangers

Air-to-refrigerant heat exchangers (HX) are vital components in Heating, Ventilating and Air Conditioning and Refrigeration (HVAC&R) equipment. Recent literature has proposed utilizing shape-optimized, non-round tubes to reduce component size and refrigerant charge, thus enabling the adoption of low-GWP natural refrigerants like R290. However, most designs are restricted to fixed tube configurations, limiting the overall performance potential. In this work, multi-objective optimization is used in a staged approach to develop variable geometry multi-pass air-to-R290 HXs with minimal volume and airside pressure drop. Non-round tubes are used throughout the domain and each pass may have different tube arrangements to maximize HX performance. Compared to conventional fin-tube HXs, the optimized designs demonstrate more than 60% reductions in envelope volume, 30% reductions in face area, and up to 24% reduction in airside pressure drop. Additionally, the refrigerant charge reduction was up to 64%, thus enabling safe use of flammable and mildly-flammable refrigerants.

42 ENGINEERING↗
DOE OSTI2025

Particle production as a function of charged-particle flattenicity in 𝑝⁢𝑝 collisions at $\sqrt{s}$ = 13 TeV

This paper reports the first measurement of the transverse momentum (𝑝 T ) spectra of primary charged pions, kaons, (anti)protons, and unidentified particles as a function of the charged-particle flattenicity in pp collisions at $\sqrt{s}$ =13 TeV. Flattenicity is a novel event shape observable that is measured in the pseudorapidity intervals covered by the V0 detector, 2.8 < 𝜂 < 5.1 and −3.7 < 𝜂 < −1.7. According to QCD-inspired phenomenological models, it shows sensitivity to multiparton interactions and is less affected by biases toward larger 𝑝 T due to local multiplicity fluctuations in the V0 acceptance than multiplicity. The analysis is performed in minimum-bias (MB) as well as in high-multiplicity events up to 𝑝 T = 20 GeV/⁢𝑐. The event selection requires at least one charged particle produced in the pseudorapidity interval |𝜂| < 1. The measured 𝑝 T distributions, average 𝑝 T , kaon-to-pion and proton-to-pion particle ratios, presented in this paper, are compared to model calculations using pythia 8 based on color strings and EPOS LHC. The modification of the 𝑝 T -spectral shapes in low-flattenicity events that have large event activity with respect to those measured in MB events develops a pronounced peak at intermediate 𝑝 T (2 < 𝑝 T < 8 GeV/𝑐), and approaches the vicinity of unity at higher 𝑝 T . The results are qualitatively described by pythia, and they show different behavior than those measured as a function of charged-particle multiplicity based on the V0M estimator.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

A Misalignment Tolerant Magnetic Coupler Design and Implementation for Wireless Charging of Unmanned Aerial Vehicles (UAVs)

Wireless power transfer technology is getting more attention these days as a part of expanded battery charging infrastructure and network at a wide range of power levels. Charging Unmanned aerial vehicles (UAVs) is one wireless charging application, and charging their batteries can be challenging because they have short flight times and are frequently charged. For wireless charging of UAVs, the misalignment performance of the magnetic coupler pads is critical because landing on a charging pad at a perfectly aligned position is difficult and can be time-consuming. Different coil shapes and system structures have been proposed in the literature to overcome this challenge. A new design with a high misalignment tolerance is needed; therefore, to fill this gap, a wireless power transfer system has been designed for a 250 W UAV battery charging system with a new magnetic coupler design. A 3D model of the proposed design was created, and finite element simulations were performed. To prove the proposed design, the magnetic coupler prototypes were developed, and experimental results are presented herein. The misalignment tolerance of the proposed system was observed for various rotational positions of the secondary coil, from 0° to 360°. The results demonstrate that DC–DC efficiency varies between 80% and 85% within full 360° rotation of the receiver coil. This result enables the proposed system to address the misalignment problem for wireless charging of UAVs.

UAVs↗
DOE OSTI2021

Differential two-particle number and momentum correlations with the AMPT, UrQMD, and EPOS models in Pb-Pb collisions at s N N = 2.76 TeV

We report studies of charge-independent and charge-dependent two-particle differential number correlation functions, R 2 (Δη,Δφ), and transverse momentum correlation functions, P 2 (Δη,Δφ), of charged particles produced in Pb–Pb collisions at the LHC center-of-mass energy √sNN= 2.76 TeV with the UrQMD, AMPT, and EPOS models. Model calculations for R2 and P2 correlation functions are presented for inclusive charged hadrons (h ± ) in selected transverse momentum ranges and with full azimuthal coverage in the pseudorapidity range |η|<1.0. We compare these calculations for the strength, shape, and particularly the width of the correlation functions with recent measurements of these observables by the ALICE collaboration. Our analysis indicates that comparative studies of R 2 and P 2 correlation functions provide valuable insight towards the understanding of particle production in Pb–Pb collisions. We find, in particular, that these models produce quantitatively different magnitudes and shapes for these correlation functions and none reproduce the results reported by the ALICE collaboration. Accounting for quantum number conservation in models, particularly charge conservation, is mandatory to reproduce the detailed measurements of number and transverse momentum correlation functions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Precise Synthesis of 4.75 V-Tolerant LiCoO 2 with Homogeneous Delithiation and Reduced Internal Strain

The rapid advancements in 3C electronic devices necessitate an increase in the charge cutoff voltage of LiCoO 2 to unlock a higher energy density that surpasses the currently available levels. However, the structural devastation and electrochemical decay of LiCoO 2 are significantly exacerbated, particularly at ≥4.5 V, due to the stress concentration caused by more severe lattice expansion and shrinkage, coupled with heterogeneous Li + intercalation/deintercalation reactions. Herein, employing the molten-salt synthesis technique, we propose a universal morphology-shaping strategy to attain bulk reaction homogeneity and reduce internal strains, even at extremely high charge voltages. The newly designed flattened polygon prismlike LiCoO 2 (P-LCO) particle, featuring a regular symmetrical arrangement along the c-axis, demonstrates a more homogeneous Li + extraction/insertion reaction, which results in a restrained transformation to detrimental O1 phase and reduced variation in lattice volume throughout the (de)lithiation processes. This benefits the mitigation of the local stress accumulation misfit dislocations and particle cracking, ultimately maintaining the mechanical stability of the cathode. Consequently, P-LCO is capable of breaking the voltage ceiling and exhibits exceptional long-term cycling capability at an ultrahigh voltage of 4.75 V. In conclusion, this work offers a brand-new perspective for the rational design of cathode morphology to address capacity deterioration caused by inhomogeneous delithiation and internal strain, thus inspiring the development of high-energy-density cathodes with improved durability.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Measuring Vibronic Coupling and Ultrafast Charge Delocalization on Nanocrystal Surfaces Using Ligand-Specific Vibrational Probes

The primary goal of this proposal was to measure and quantify how vibronic ligand-exciton interactions at the inorganic-organic interface of semiconductor nanocrystals (NCs) govern femtosecond non-radiative relaxation and charge delocalization mechanisms as a function of nanocrystal and ligand structures – including NC size, shape, and ligand identity. Molecular-scale chemical and physical properties and interactions of surface ligands dictate nanocrystal exciton dynamics on the femto-to-microsecond timescales. Improvements in synthesis, experimental, and theoretical characterizations have enhanced our understanding of NC photophysics. However, quantitative descriptions of complex ligand-exciton interactions at the NC surface have remained elusive, which limits elucidation of relaxation mechanisms that determine overall carrier transfer dynamics at the exciton-ligand interface. Thus, the central motivation for this proposal was to fill a significant knowledge gap for judicious selection of ligand-functionalized nanocrystals for targeted isolation and capture of charge carriers to drive selective organic photocatalytic transformations in NC photocatalysts and NC-assembled photonic materials. Our unique two-pronged experimental approach combining nanocrystal synthesis and ligand-specific nonlinear spectroscopy has resulted in (i) four peer-reviewed publications; (ii) 12+ invited and contributed posters and talks at national and international scientific meetings and seminars, (iii) two completed PhD theses, (iv) training of two postdoctoral researchers, three PhD students, and two undergraduate students, and (v) two manuscripts under preparation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Understanding Electric Vehicle Range and Charging Needs: Interactions Between Ambient Temperature, Commute Patterns, and State-of-Charge Usage

Electric vehicle (EV) performance can vary substantially under real-world operating conditions, particularly due to ambient temperature effects on energy consumption, battery behavior, and thermal management requirements. This study quantifies how weather conditions, daily driving patterns, and State-of-Charge (SOC) usage strategies jointly influence EV driving range, charging frequency, and overall energy efficiency. A detailed and experimentally validated Autonomie vehicle model is developed, integrating a powertrain, a mono-zonal cabin model, and a battery electro-thermal model. Three battery sizes (200-, 300-, and 400-mile homologated ranges) are assessed across five commute profiles (20–200 miles) and six ambient temperatures (−18 °C to 50 °C), including scenarios with and without preconditioning. Results show that extreme temperatures could significantly decrease the maximum achievable range by up to 55% in cold conditions (−18 °C) and 40% in hot conditions (50 °C), relative to moderate conditions. Larger battery packs retain a greater fraction of their nominal range under thermal stress, while smaller packs experience sharper relative penalties due to the higher contribution of thermal loads to total energy demand. The analysis further demonstrates that limiting operation to partial SOC windows (e.g., 80–20%), a common real-world practice, significantly reduces achievable range and increases charging frequency, particularly in cold weather. Thermal preconditioning while plugged in is shown to mitigate these effects for short trips, reducing energy consumption by up to 31% in hot conditions and 7% in cold conditions. The findings demonstrate how climate, SOC usage behavior, and thermal management jointly shape the practical driving capability of EVs, highlighting the importance of efficient thermal management and realistic user charging strategies for ensuring reliable EV operation across diverse climatic scenarios.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Effect of material composition of diamond field emission array cathodes on quality of transversely shaped beams

Diamond field emitter array field emission cathodes (DFEA FECs) are attractive for the next generation of injectors due to their ability to produce transversely shaped beams without the need for complex masking or laser schemes. However, reliability of this cathode technology remains a challenging issue as principal mechanisms guiding and allowing for output beam shaping remained poorly understood. Here, this paper reports the results of testing two DFEA FECs with the same pattern and emitter tip geometry. Although both cathodes were able to sustain gradients of 44 MV/m and produce maximum output integral charge of 0.5 nC per radio frequency pulse, their emission patterns were different. One cathode did not produce a shaped beam, while the other one did. This difference was explained by the extent of the local variations of the diamond material across the arrays as discovered by spatially resolved Raman spectroscopy. The main practical takeaways were (i) tip sharpness was not a prerequisite for producing a shaped beam and instead (ii) material characteristics resulting in different cathode ballast resistance affected emission spatial uniformity across the array and hence the beam shaping.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Six-dimensional matching of intense beam with linear accelerating structure

Beam matching is a common technique that is routinely employed in accelerator design with the aim of minimizing beam losses and preservation of beam brightness. Despite being widely used, a full theoretical understanding of beam matching in 6D remains elusive. In this work, we present an analytical treatment of 6D beam matching of a high-intensity beam onto an RF structure. We begin our analysis within the framework of a linear model, and apply the averaging method to a set of 3D beam envelope equations. Accordingly, we obtain a matched solution that is comprised of smoothed envelopes and periodic terms, describing envelope oscillations with the period of the focusing structure. We then consider the nonlinear regime, where the beam size is comparable with the separatrix size. Stating with a Hamiltonian analysis in 6D phase space, we attain a self-consistent beam profile and show that it is significantly different from the commonly used ellipsoidal shape. Subsequently, we analyze the special case of an equilibrium with equal space charge depression between all degrees of freedom. Comparison of beam dynamics for equipartitioned, equal space charge depression, and equal emittances beams is given. Finally, we present experimental results on beam matching in the LANSCE linac.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Correlations between flow and transverse momentum in Xe + Xe and Pb + Pb collisions at the LHC with the ATLAS detector: A probe of the heavy-ion initial state and nuclear deformation

The correlations between flow harmonics v n for n = 2, 3, and 4 and mean transverse momentum [p T ] in 129 Xe + 129 Xe and 208 Pb + 208 Pb collisions at $\sqrt{s}$ = 5.44 and 5.02 TeV, respectively, are measured using charged particles with the ATLAS detector. The correlations are potentially sensitive to the shape and size of the initial geometry, nuclear deformation, and initial momentum anisotropy. The effects from nonflow and centrality fluctuations are minimized, respectively, via a subevent cumulant method and an event-activity selection based on particle production at very forward rapidity. The v n -[p T ] correlations show strong dependencies on centrality, harmonic number n, p T , and pseudorapidity range. Current models qualitatively describe the overall centralityand system-dependent trends but fail to quantitatively reproduce all features of the data. In central collisions, where models generally show good agreement, the v 2 -[p T ] correlations are sensitive to the triaxiality of the quadruple deformation. Comparison of the model with the Pb + Pb and Xe + Xe data confirms that the 129 Xe nucleus is a highly deformed triaxial ellipsoid that has neither a prolate nor oblate shape. This provides strong evidence for a triaxial deformation of the 129 Xe nucleus from high-energy heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Investigating late-stage particle production in pp collisions with balance functions

Balance functions have been regarded in the past as a method of investigating the late-stage hadronization found in the presence of a strongly-coupled medium. They are also used to constrain mechanisms of particle production in large and small collision systems. Charge balance functions for inclusive and identified particle pairs are reported as a function of charged particle multiplicity in proton–proton collisions simulated with the PYTHIA8 and the EPOS4 models. The charge balance functions of inclusive, pion, kaon, and proton pairs exhibit amplitudes and shapes that depend on particle species and differ significantly in the two models due to the different particle production mechanisms implemented in PYTHIA and EPOS. The shapes and amplitudes also evolve with multiplicity in both models. In addition, the evolution of the longitudinal rms width and that of balance functions integrals with multiplicity (and average transverse momentum) feature significant differences in the two models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗