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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Does non-reciprocity break the Shockley–Queisser limit in single-junction solar cells?

The efficiency of single-junction solar cells is bounded by the Shockley–Queisser limit of 41%. However, standard derivation for this limit constrains the system to be reciprocal, and what non-reciprocity can bring for single-junction solar cells remains yet to be clarified. Here, we prove that even with non-reciprocity, the ultimate efficiency of single-junction solar cells is still subject to the Shockley–Queisser limit. Here, we show that the Shockley–Queisser limit does not rely on the detailed balance, but rather is a consequence of the integrated balance between the absorption and emission processes, as required by the second law of thermodynamics.

14 SOLAR ENERGY↗
DOE OSTI2024

Erratum: “Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported ‘first row anomaly’ in XH n (X = C, Si, Ge, Sn; n = 1–4)” [J. Chem. Phys. 156, 244303 (2022)]

We have noted typographical errors in TABLE V of J. Chem. Phys. 156, 244303 (2022). Specifically, the values of the angles φ HχH for the XH 2 species in both the ( 3 B 1 ) and ( 1 A 1 ) states were incorrectly reported as half of the correct values. Additionally, the values of the same angles for the XH 3 and XH 4 species were reported correctly.

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

The advancing wave front on a sloping channel covered by a rod canopy following an instantaneous dam break

The drag coefficient Cd for a rigid and uniformly distributed rod canopy covering a sloping channel following the instantaneous collapse of a dam was examined using flume experiments. The measurements included space x and time t high resolution images of the water surface h(x, t) for multiple channel bed slopes So and water depths behind the dam Ho along with drag estimates provided by sequential load cells. Using these data, an analysis of the Saint-Venant equation (SVE) for the front speed was conducted using the diffusive wave approximation. An inferred Cd=0.4 from the h(x, t) data near the advancing front region, also confirmed by load cell measurements, is much reduced relative to its independently measured steady-uniform flow case. This finding suggests that drag reduction mechanisms associated with transients and flow disturbances are more likely to play a dominant role when compared to conventional sheltering or blocking effects on Cd examined in uniform flow. The increased air volume entrained into the advancing wave front region as determined from an inflow–outflow volume balance partly explains the Cd reduction from unity.

Mechanics↗
DOE OSTI2025

Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware

The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of accuracy, atom count (spatial scale), and duration (temporal scale). Since the mid-2000s, computer platforms have, however, failed to provide strong scaling for MD, as scale-out central processing unit (CPU) and graphics processing unit (GPU) platforms that provide substantial increases to spatial scale do not lead to proportional increases in temporal scale. Important scientific problems therefore remained inaccessible to direct simulation, prompting the development of increasingly sophisticated algorithms that present significant complexity, accuracy, and efficiency challenges. While bespoke MD-only hardware solutions have provided a path to longer timescales for specific physical systems, their impact on the broader community has been mitigated by their limited adaptability to new methods and potentials. In this work, we show that a novel computing architecture, the Cerebras wafer scale engine, completely alters the scaling path by delivering unprecedentedly high simulation rates up to 1.144 M steps/s for 200 000 atoms whose interactions are described by an embedded atom method potential. This enables direct simulations of the evolution of materials using general-purpose programmable hardware over millisecond timescales, dramatically increasing the space of direct MD simulations that can be carried out. In this paper, we provide an overview of advances in MD over the last 60 years and present our recent result in the context of historical MD performance trends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential

Here, we perform electronic structure calculations for a set of molecules with degenerate spin-dependent ground states ( 3 CH 2 , 2 CH$^{•}_{3}$, 3 O 2 ) going beyond the Born–Oppenheimer approximation and accounting for nuclear motion. According to a phase space approach that parameterizes electronic states (|Φ⟩) and electronic energies (E) by nuclear position and momentum [i.e., |Φ(R, P)⟩ and E(R, P)], we find that the presence of degenerate spin degrees of freedom leads to broken symmetry ground states. More precisely, rather than a single degenerate minimum at (R, P) = (R min , 0), the ground state energy has two minima at (R,P)=(R' min ,±P min ) (where R' min is close to R min ), dramatically contradicting the notion that the total energy of the system can be written in separable form as E = $\frac{P^2}{2M}$ + V el . Although we find that the broken symmetry solutions have small barriers between them for the small molecules, we hypothesize that the barriers should be macroscopically large for metallic solids, thus offering up a new phase-space potential energy surface for simulating the Einstein–de Haas effect.

Berry connection↗
DOE OSTI2026

Gyrotropy-induced symmetry breaking in RF-specific plasma wall interaction: Mechanisms and mitigation strategies

Ion cyclotron range of frequencies (ICRF) heating is essential for creating plasma in next-generation fusion devices. ICRF antennas often produce localized wall erosion, reducing reliability, material survivability, and overall plasma performance. We show that the wave physics' gyrotropy is among the causes of toroidal and poloidal asymmetries in these erosion spots, and that this source of asymmetry can be compensated for either by controlling the poloidal phasing or by modifying the limiter shapes.

Fusion reactors↗
DOE OSTI2024

The charge and mass symmetry breaking in the KK K¯ system

Abstract In the framework of the Faddeev equations in configuration space, we investigate theK(1460) meson as a resonant state of the KK K ¯ kaonic system. We perform calculations for the particle configurationsK 0 K + K − and K 0 K + K 0 ¯ within two models: theABCmodel, in which all three particles are distinguishable, and theAACmodel when two particles are identical. The models differ in their treatment of the kaon mass difference and the attractive Coulomb force between theK + K − pair. We found that the Coulomb shift adds over 1 MeV to the three-body binding energy. The expected correction to the binding energy due to mass redistribution fromAAtoABis found to be negligible, up to a maximum of 6% of the relative mass correction. At the same time, the symmetry of the wave function is distorted depending on the mass ratio value. We found that the repulsiveKKinteraction plays an essential role in the binding energy of the KK K ¯ system and reports the mass of 1461.8 or 1464.1 MeV for the neutralK 0 (1460) and 1466.5 or 1468.8 MeV for the chargedK + (1460) resonances, respectively, depending on the parameter sets forKKand K K ¯ interactions.

Physics↗
DOE OSTI2021

High-temperature superconducting CORC ® wires with record-breaking axial tensile strain tolerance present a breakthrough for high-field magnets

Cuprate high-temperature superconductors (HTS), such as RE-Ba 2 Cu 3 O 7–δ (REBCO, RE = rare earth), (Bi,Pb) 2 Sr 2 Ca 2 Cu 3 O 10–x and Bi 2 Sr 2 CaCu 2 O 8–x , have enabled the development of high-field superconducting magnets capable of generating magnetic fields far exceeding 20 T. The brittle nature of HTS requires elaborate means to protect them against the high stresses and strains associated with high-field magnet operation, and so far, has prevented reliable high-field HTS magnets from becoming a reality. Here we report a more than tenfold increase in the irreversible strain limit under axial tension (epsilonirr) to over 7% in optimized high-current conductor on round core (CORC®) conductors, compared to the REBCO tapes from which the CORC® conductor is wound. Minimizing the tape winding pitch of the helical wind mechanically decouples the brittle REBCO film from the overall conductor. The REBCO tapes behave as springs, limiting the rate at which applied strain is transferred to the ceramic film. In addition, high-strength alloy cores allow the critical stress (ϵ crit ) under axial tension at which initial degradation of CORC® conductors occurs to exceed 600 MPa, making them one of the strongest superconductors available. Mechanically decoupling the ceramic REBCO films from the overall CORC® conductor allows effective protection against the high operating stresses in high-field magnets. Furthermore, this breakthrough presents a monumental shift for HTS magnet technology, bringing reliable high-field superconducting magnets for compact fusion machines, the next generation of particle accelerators, and 40–60 T research solenoids within reach.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Isospin-breaking contributions to ε '/ε

We present an updated analysis of isospin-violating corrections to ε '/ε in the framework of chiral perturbation theory, taking advantage of the currently improved knowledge on quark masses and nonperturbative parameters. The role of the different ingredients entering into the analysis is carefully assessed. Our final result is ${\Omega }_{\text{eff}}={0.110}_{-0.088}^{+0.090}$ [1].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Mechanism of efficient double-strand break repair by a long non-coding RNA

The Authors wish to correct an error in Figure 6. In Figure 6B the panel label should read ‘Ku + DNA-PKcs + LINP1, 6 kbp bridge’ instead of ‘Ku + DNA-PKcs + PAXX, 6 kbp bridge’. The published article has been updated. This error does not affect the conclusions of the article.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Mechanism of efficient double-strand break repair by a long non-coding RNA

Mechanistic studies in DNA repair have focused on roles of multi-protein DNA complexes, so how long non-coding RNAs (lncRNAs) regulate DNA repair is less well understood. Yet, lncRNA LINP1 is over-expressed in multiple cancers and confers resistance to ionizing radiation and chemotherapeutic drugs. Here, we unveil structural and mechanistic insights into LINP1’s ability to facilitate non-homologous end joining (NHEJ). We characterized LINP1 structure and flexibility and analyzed interactions with the NHEJ factor Ku70/Ku80 (Ku) and Ku complexes that direct NHEJ. LINP1 self-assembles into phase-separated condensates via RNA–RNA interactions that reorganize to form filamentous Ku-containing aggregates. Structured motifs in LINP1 bind Ku, promoting Ku multimerization and stabilization of the initial synaptic event for NHEJ. Significantly, LINP1 acts as an effective proxy for PAXX. Collective results reveal how lncRNA effectively replaces a DNA repair protein for efficient NHEJ with implications for development of resistance to cancer therapy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Breaking the barrier of human-annotated training data for machine learning-aided plant research using aerial imagery

Machine learning (ML) can accelerate biological research. However, the adoption of such tools to facilitate phenotyping based on sensor data has been limited by (i) the need for a large amount of human-annotated training data for each context in which the tool is used and (ii) phenotypes varying across contexts defined in terms of genetics and environment. This is a major bottleneck because acquiring training data is generally costly and time-consuming. This study demonstrates how a ML approach can address these challenges by minimizing the amount of human supervision needed for tool building. A case study was performed to compare ML approaches that examine images collected by an uncrewed aerial vehicle to determine the presence/absence of panicles (i.e. “heading”) across thousands of field plots containing genetically diverse breeding populations of 2 Miscanthus species. Automated analysis of aerial imagery enabled the identification of heading approximately 9 times faster than in-field visual inspection by humans. Leveraging an Efficiently Supervised Generative Adversarial Network (ESGAN) learning strategy reduced the requirement for human-annotated data by 1 to 2 orders of magnitude compared to traditional, fully supervised learning approaches. The ESGAN model learned the salient features of the data set by using thousands of unlabeled images to inform the discriminative ability of a classifier so that it required minimal human-labeled training data. This method can accelerate the phenotyping of heading date as a measure of flowering time in Miscanthus across diverse contexts (e.g. in multistate trials) and opens avenues to promote the broad adoption of ML tools.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Evidence for a Spectral Break or Curvature in the Spectrum of Astrophysical Neutrinos from 5 TeV to 10 PeV

Here, we report improved measurements of the all flavor astrophysical neutrino spectrum with IceCube by combining complementary neutrino samples in two independent analyses. Both analyses show evidence of a harder spectrum at energies below ∼ 30 TeV compared to higher energies where the spectrum is well characterized by a power law. The spectrum is better described by a log parabola or a broken power law, the latter being the preferred model. Both, however, reject a single power law over an energy range 5 TeV–10 PeV with a significance > 4⁢𝜎, providing new constraints on properties of cosmic neutrino sources.

Abbasi, R. [Loyola University Chicago] (ORCID:0000↗
DOE OSTI2025

Linear magnetoconductivity as a probe of time-reversal symmetry breaking

Several optical experiments have shown that in magnetic materials, the principal axes of response tensors can rotate as an odd function of an applied magnetic field. Here we offer a microscopic explanation of this effect, and we propose a closely related dc transport phenomenon—an off-diagonal symmetric conductivity, linear and odd in a magnetic field, which we refer to as linear magnetoconductivity (LMC). Although LMC has the same functional dependence on a magnetic field as the Hall effect, its origin is fundamentally different: LMC requires time-reversal symmetry to be broken even before a magnetic field is applied, and is therefore a sensitive probe of magnetism. We demonstrate LMC in three different ways: via a tight-binding toy model, a density functional theory calculation on MnPSe3, and a semiclassical treatment. The third approach identifies two distinct mechanisms yielding LMC: momentum-dependent band magnetization and Berry curvature. Finally, we propose an experimental geometry suitable for detecting LMC, and we demonstrate its applicability using Landauer-Büttiker simulations. Our results emphasize the importance of measuring the full conductivity tensor in magnetic materials, and they introduce LMC as a new transport probe of symmetry.

Sunko, V↗