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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Toward Standardized Microscale Tensile Testing for Two‐Photon Polymerization‐Fabricated Materials in Liquid

Two-photon polymerization (TPP) enables the fabrication of intricate 3D microstructures with submicron precision, offering significant potential in biomedical applications like tissue engineering. In such applications, to print materials and structures with defined mechanics, it is crucial to understand how TPP printing parameters impact the material properties in a physiologically relevant liquid environment. Herein, an experimental approach utilizing microscale tensile testing (μTT) for the systematic measurement of TPP-fabricated microfibers submerged in liquid as a function of printing parameters is introduced. Using a diurethane dimethacrylate-based resin, the influence of printing parameters on microfiber geometry is first explored, demonstrating cross-sectional areas ranging from 1 to 36 μm 2 . Tensile testing reveals Young's moduli between 0.5 and 1.5 GPa and yield strengths from 10 to 60 MPa. The experimental data show an excellent fit with the Ogden hyperelastic polymer model, which enables a detailed analysis of how variations in writing speed, laser power, and printing path influence the mechanical properties of TPP microfibers. The μTT method is also showcased for evaluating multiple commercial resins and for performing cyclic loading experiments. Collectively, this study builds a foundation toward a standardized microscale tensile testing framework to characterize the mechanical properties of TPP printed structures.

mechanical characterization↗
DOE OSTI2025

Constraining non-standard neutrino interactions with neutral current events at long-baseline oscillation experiments

We explore, for the first time, neutral-curren t events at long-baseline experiments to constrain vector and axial-vector neutrino non-standard interactions (NSI) with quarks. We leverage the flavor dependence of NSIs to perform an oscillation analysis in the neutral- current channel. We first introduce a framework to parametrize the effect of NSI on the cross section. Then, as an example, we analyze NOvA neutral-current data which provides significantly improved constraints on the axial-vector NSI parameters ${\varepsilon}_{\mu \mu}^A$, ${\varepsilon}_{\tau \tau}^A$ and ${\varepsilon}_{e\mu}^A$. This is highly complementary to constraints from SNO data, which, differently from long-baseline neutral current data, is not sensitive to isospin conserving NSIs ${\varepsilon}_u^A$ = ${\varepsilon}_d^A$. Additionally, we disfavor large values of the diagonal vectorial NSI ${\varepsilon}_{\mu \mu}^{VV}$ and ${\varepsilon}_{\tau \tau}^V$ which originate from the LMA-Dark solution. We also highlight the complementarity between NSI searches at oscillation experiments using charged current and neutral current channels.

neutrino interactions↗
DOE OSTI2024

Leptogenesis in parity solutions to the strong CP problem and Standard Model parameters

We study the simplest theories with exact spacetime parity that solve the strong CP problem and successfully generate the cosmological baryon asymmetry via decays of right-handed neutrinos. Lower bounds are derived for the masses of the right-handed neutrinos and for the scale of spontaneous parity breaking, v R . For generic thermal leptogenesis, v R ≳ 10 12 GeV, unless the small observed neutrino masses arise from fine-tuning. We compute v R in terms of the top quark mass, the QCD coupling, and the Higgs boson mass and find this bound is consistent with current data at 1σ. Future precision measurements of these parameters may provide support for the theory or, if v R is determined to be below 10 12 GeV, force modifications. However, modified cosmologies do not easily allow reductions in v R — no reduction is possible if leptogenesis occurs in the collisions of domain walls formed at parity breaking, and at most a factor 10 reduction is possible with non-thermal leptogenesis. Standard Model parameters that yield low values for v R can only be accommodated by having a high degree of degeneracy among the right-handed neutrinos involved in leptogenesis. If future precision measurements determine v R to be above 10 12 GeV, it is likely that higher-dimensional operators of the theory will yield a neutron electric dipole moment accessible to ongoing experiments. This is especially true in a simple UV completion of the neutrino sector, involving gauge singlet fermions, where the bound from successful leptogenesis is strengthened to v R ≳ 10 13 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Improved Statistics for F-theory Standard Models

Much of the analysis of F-theory-based Standard Models boils down to computing cohomologies of line bundles on matter curves. By varying parameters one can degenerate such matter curves to singular ones, typically with many nodes, where the computation is combinatorial and straightforward. The question remains to relate the (a priori possibly smaller) value on the original curve to the singular one. In this work, we introduce some elementary techniques (pruning trees and removing interior edges) for simplifying the resulting nodal curves to a small collection of terminal ones that can be handled directly. When applied to the QSMs, these techniques yield optimal results in the sense that obtaining more precise answers would require currently unavailable information about the QSM geometries. This provides us with an opportunity to enhance the statistical bounds established in earlier research regarding the absence of vector-like exotics on the quark-doublet curve.

Bies, Martin↗
DOE OSTI2025

Single particle trace element analysis of uranium oxide standards with laser-induced breakdown spectroscopy

Femtosecond Laser-Induced Breakdown Spectroscopy (LIBS) was used to analyze over 1000 individual particles of uranium oxide trace element standard CRM124. Intra-granular analysis showed elemental concentrations were consistent across different surface locations on each uranium grain. However, inter-granular comparison revealed large heterogeneity between different grains of the same sample. By comparing the distribution of elemental concentrations across the particle populations, we were able to correctly identify a manufacturing process involving wet chemistry, rather than a dry mixing of two powders to give an overall chemical average. In conclusion, this demonstrates the utility of LIBS as a large-scale single particle analysis tool for nuclear forensics.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

A call to standardize metrics for monitoring baleen whales near marine construction activities

Effective monitoring is necessary to protect marine mammal species during the construction of offshore infrastructure. The tools for detecting or monitoring marine mammals span traditional (e.g., visual observers, optical cameras), to newer (e.g., passive acoustic monitoring, infrared cameras, tags), and emerging (e.g., satellite imagery, environmental DNA, dimethyl sulfide concentration) technologies. Some are better suited for use during offshore development; however, peer-reviewed literature does not typically evaluate and report on the performance of these various technologies. We define a minimum set of metrics related to efficacy (i.e., confusion matrix, precision and recall, probability of missed mitigation), detection range (i.e., maximum and reliable detection range, spatial resolution), and data delivery (i.e., detection latency, system reliability, temporal resolution) that we recommend are needed to assess the utility of monitoring technologies for this purpose. Following a literature review of relevant studies, we highlight which publications reported these metrics and used multiple technologies to compare relative performance. We also emphasize the benefits of multi-modal approaches and recommend performance assessments through modeling or large-scale collaborative field testing. These metrics will standardize data collection, reporting, and analysis; promote consistent and comparable results; and foster collaboration among developers, regulatory agencies, and scientists. This may lead to the co-development of technology that achieves multiple goals, has greater application, and can answer research questions while collecting data to fulfill permitting requirements. These metrics may also inform decisions on what systems regulatory agencies might consider using and reduce monitoring costs, which is critical to support the marine sector's rapid growth alongside marine mammal conservation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

The anomalous magnetic moment of the muon in the Standard Model: an update

We present the current Standard Model (SM) prediction for the muon anomalous magnetic moment, a μ , updating the first White Paper (WP20) [1]. The pure QED and electroweak contributions have been further consolidated, while hadronic contributions continue to be responsible for the bulk of the uncertainty of the SM prediction. Significant progress has been achieved in the hadronic light-by-light scattering contribution using both the data-driven dispersive approach as well as lattice-QCD calculations, leading to a reduction of the uncertainty by almost a factor of two. The most important development since WP20 is the change in the estimate of the leading-order hadronic-vacuum-polarization (LO HVP) contribution. A new measurement of the e + e - → π + π - cross section by CMD-3 has increased the tensions among data-driven dispersive evaluations of the LO HVP contribution to a level that makes it impossible to combine the results in a meaningful way. At the same time, the attainable precision of lattice-QCD calculations has increased substantially and allows for a consolidated lattice-QCD average of the LO HVP contribution with a precision of about 0.9%. Adopting the latter in this update has resulted in a major upward shift of the total SM prediction, which now reads $a^{SM}_{μ}$ = 116 592 033 (62) x $10^{-11}$ (530 ppb). When compared against the current experimental average based on the E821 experiment and runs 1–6 of E989 at Fermilab, one finds $a^{exp}_{μ} -a^{SM}_{μ}= 38 (63)$ x $10^{-11}$, which implies that there is no tension between the SM and experiment at the current level of precision. The final precision of E989 (127 ppb) is the target of future efforts by the Theory Initiative. The resolution of the tensions among data-driven dispersive evaluations of the LO HVP contribution will be a key element in this endeavor.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Deployment and validation of predictive 6-dimensional beam diagnostics through generative reconstruction with standard accelerator elements

Understanding the 6-dimensional phase space distribution of particle beams is essential for optimizing accelerator performance. Conventional diagnostics such as use of transverse deflecting cavities offer detailed characterization but require dedicated hardware and space. Generative phase space reconstruction (GPSR) methods have shown promise in beam diagnostics, yet prior implementations still rely on such components. Here we present the first experimental implementation and validation of the GPSR methodology, realized by the use of standard accelerator elements including accelerating cavities and dipole magnets, to achieve complete 6-dimensional phase space reconstruction. Through simulations and experiments at the Pohang Accelerator Laboratory X-ray Free Electron Laser facility, we successfully reconstruct complex, nonlinear beam structures. Furthermore, we validate the methodology by predicting independent downstream measurements excluded from training, revealing the reconstruction closely resembling ground truth. This advancement establishes a pathway for predictive diagnostics across beamline segments while reducing hardware requirements and expanding applicability to various accelerator facilities.

Kim, Seongyeol [Pohang Univ. of Science and Techno↗
DOE OSTI2025

Topological perturbation to a standard dehydrogenation catalyst, Pt 3 Sn

Topological materials, which exhibit protected topological surface states (TSS) near the Fermi level, have been proposed to be good catalysts. Topological catalysis may be more prevalent than we suspect, and not limited to exotic new materials. Here we study a known dehydrogenation catalyst, Pt 3 Sn alloy, which happens to be a topological semimetal, and probe the participation of TSSs in catalytic dehydrogenation of methane catalyzed by this material. Through first principle modeling and detailed analysis of the electronic structure for topological and non-topological surfaces of Pt 3 Sn, we find that TSS get significantly altered by the binding of reaction intermediates, particularly H. However, this effect of TSS on the binding of the reagents is merely perturbative, as the majority of the adsorbate binding is achieved by not-surface-focused electronic states, located much deeper below the Fermi level. Therefore, the reaction energetics and selectivity are predominantly determined by electronic states other than TSS. The fact that TSS are available for the reagent binding does not alone guarantee that the catalysis is strongly driven by TSS. However, TSS are not to be ignored, as small changes in the energetics along the reaction profile can translate into substantial differences in the reaction rate. Hence, in our view, Pt 3 Sn – a topological material – is first and foremost a standard catalyst, with added topological features, and not purely a topological catalyst. Our results point at the need to carefully consider all the bonding effects at the topological material interface.

Chemistry↗
DOE OSTI2024

A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing

A major difficulty in quantum simulation is the adequate treatment of a large collection of entangled particles, synonymous with electron correlation in electronic structure theory, with coupled cluster (CC) theory being the leading framework for dealing with this problem. Augmenting computationally affordable low-rank approximations in CC theory with a perturbative account of higher-rank excitations is a tractable and effective way of accounting for the missing electron correlation in those approximations. This is perhaps best exemplified by the “gold standard” CCSD(T) method, which bolsters the baseline CCSD with the effects of triple excitations using considerations from many-body perturbation theory (MBPT). Despite this established success, such a synergy between MBPT and the unitary analog of CC theory (UCC) has not been explored. In this work, we propose a similar approach wherein converged UCCSD amplitudes are leveraged to evaluate energy corrections associated with triple excitations, leading to the UCCSD[T] method. In terms of quantum computing, this correction represents an entirely classical post-processing step that improves the energy estimate by accounting for triple excitation effects without necessitating new quantum algorithm developments or increasing demand for quantum resources. The rationale behind this choice is shown to be rigorous by studying the properties of finite-order UCC energy functionals, and our efforts do not support the addition of the fifth-order contributions as in the (T) correction. We assess the performance of these approaches on a collection of small molecules and demonstrate the benefits of harnessing the inherent synergy between MBPT and UCC theories.

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

LibERI—A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism

A portable and performant graphics processing unit (GPU)-accelerated library for electron repulsion integral (ERI) evaluation, named LibERI, has been developed and implemented via directive-based (e.g., OpenMP and OpenACC) and standard language parallelism (e.g., Fortran DO CONCURRENT). Offloaded ERIs consist of integrals over low and high contraction s, p, and d functions using the rotated-axis and Rys quadrature methods. GPU codes are factorized based on previous developments with two layers of integral screening and quartet presorting. In this work, the density screening is moved to the GPU to enhance the computational efficacy for large molecular systems. Here, the L-shells in the Pople basis set are also separated into pure S and P shells to increase the ERI homogeneity and reduce atomic operations and the memory footprint. LibERI is compatible with any quantum chemistry drivers supporting the MolSSI Driver Interface. Benchmark calculations of LibERI interfaced with the GAMESS software package were carried out on various GPU architectures and molecular systems. The results show that the LibERI performance is comparable to other state-of-the-art GPU-accelerated codes (e.g., TeraChem and GMSHPC) and, in some cases, outperforms conventionally developed ERI CUDA kernels (e.g., QUICK) while fully maintaining portability.

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

Toward the “platinum standard” of quantum chemistry on quantum computers: Perturbative quadruple corrections in unitary coupled cluster theory

We propose a non-iterative, post-hoc correction to the unitary coupled cluster theory with the single, double, and triple excitations (UCCSDT) Ansatz, which considers the leading-order effects of neglected quadruple excitations. We present two ways to derive this correction, henceforth referred to as [Q-6], which leads to an improvement in the correlation energy shown to be truncated to sixth-order in many-body perturbation theory. Furthermore, a comparison between the UCC-based [Q-6] correction proposed in this work and analogous, “platinum standard” quadruple corrections proposed in conventional coupled cluster theory recognizes that [Q-6] is distinct from prior corrections since it is constructed entirely from internally connected components. Although trotterized (t) and full operator variants of UCCSDT exhibit errors in scans of small molecule potential energy surfaces that routinely exceed 1.6 mH, we find that t/UCCSDT[Q-6] is, nevertheless, able to achieve chemical accuracy as measured by the mean unsigned error.

Correlation energy↗
DOE OSTI2025

Large-scale tearing-mode hazard function analysis with standard matched equilibrium reconstructions

The association between features from standard tokamak equilibrium reconstructions and the onset of n = 1 tearing modes (TMs) is analyzed at scale. The TM onset rate is directly modeled with a ‘hazard’ function which gives the expected number of onsets (per unit time spent) in a given equilibrium parameter region. In particular the different statistical modeling performance achieved for magnetics-only reconstructions and motional Stark effect (MSE) enhanced reconstructions is studied. It is observed that a better hazard model for the TM onset rate can be built with the MSE-enhanced equilibria compared to the matched magnetics-only situation. This advantage disappears if internal profile details are withheld from the matched analysis. Plausibility of the hazard function is further demonstrated with visualizations of global trends in the operational space, and time-traces from specific tokamak discharges. As a result, TMs typically degrade tokamak plasma performance and may lead to plasma termination, motivating this statistical study.

equilibrium↗
DOE OSTI2024

Probing New physics with high-redshift quasars: axions and non-standard cosmology

The Hubble diagram of quasars, as candidates to “standardizable” candles, has been used to measure the expansion history of the Universe at late times, up to very high redshifts ( z ~ 7). It has been shown that this history, as inferred from the quasar dataset, deviates at ≳ 3 σ level from the concordance (ΛCDM) cosmology model preferred by the cosmic microwave background (CMB) and other datasets. In this article, we investigate whether new physics beyond ΛCDM (BΛCDM) or beyond the Standard Model (BSM) could make the quasar data consistent with the concordance model. We first show that an effective redshift-dependent relation between the quasar UV and X-ray luminosities, complementing previous phenomenological work in the literature, can potentially remedy the discrepancy. Such a redshift dependence can be realized in a BSM model with axion-photon conversion in the intergalactic medium (IGM), although the preferred parameter space is in tension with various other astrophysical constraints on axions, at a level depending on the specific assumptions made regarding the IGM magnetic field. We briefly discuss a variation of the axion model that could evade these astrophysical constraints. On the other hand, we show that models beyond ΛCDM such as one with a varying dark energy equation of state ( w CDM) or the phenomenological cosmographic model with a polynomial expansion of the luminosity distance, cannot alleviate the tension. The code for our analysis, based on emcee [1] and corner.py [2], is publicly available at github.com/ChenSun-Phys/high_z_candles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Performance of modern color decompositions for standard candle LHC tree amplitudes

In the last decade, developments of matrix element and phase space generators have focused on providing good efficiency and maximal flexibility and automation for a wide range of physical processes. However, as recent studies have shown, they are a major bottleneck in the established Monte Carlo event generator toolchains. With the advent of the HL-LHC and ever rising precision requirements, future developments will need to focus on computational performance, especially at intermediate to large jet multiplicities. We present the novel BlockGen family of fast matrix element algorithms that are amenable for GPU acceleration, making use of modern, minimal color decompositions. Moreover, we discuss the performance achieved for standard candle processes such as V +jets and tt̄+jets production.

Bothmann, E. [Gottingen U.]↗
DOE OSTI2026

$Ξ$ 𝑏 → $Ξ$ form factors from lattice QCD and standard-model predictions for $Ξ$ 𝑏 → $Ξ$⁢𝜇 + ⁢𝜇 − and $Ξ$ 𝑏 → $Ξ$⁢𝛾 decays

We present the first lattice QCD determination of the $Ξ$ 𝑏 → $Ξ$ vector, axial-vector, and tensor form factors, which are relevant for the theory of rare decays including $Ξ$ 𝑏 → $Ξ$⁢ℓ + ⁢ℓ − and $Ξ$ 𝑏 → $Ξ$⁢𝛾. The calculation is performed with 2+1 flavors of domain-wall fermions at three different lattice spacings and pion masses in the range from approximately 430 to 230 MeV. The bottom quark is implemented using an anisotropic clover action. Three-point functions with a wide range of source-sink separations and model averaging are used to extract the ground-state contributions. We fit the dependence of the form factors on the momentum transfer, the pion mass, and the lattice spacing using modified 𝑧 expansions that account for subthreshold branch cuts, and apply dispersive bounds and asymptotic behavior constraints to achieve controlled uncertainties in the full semileptonic kinematic region. Using our form factor results, we present standard model predictions for the $Ξ$$^{−}_{𝑏}$ → $Ξ$ − ⁢𝛾 and $Ξ$$^{−}_{𝑏}$ → $Ξ$ − ⁢𝜇 + ⁢𝜇 − branching fractions and two angular observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Warm Inflation with the Standard Model

We show for the first time that warm inflation is feasible with standard model (SM) gauge interactions alone. Our model consists of a minimal extension of the SM by a single scalar inflaton field with an axionlike coupling to gluons and a monomial potential. The effects of light fermions, which were previously argued to render warm inflation with the SM impossible, are alleviated by Hubble dilution of their chiral chemical potentials. Our model features only one adjustable combination of parameters and accommodates all inflationary observables. We briefly discuss implications for axion experiments, dark matter, and the strong 𝐶⁢𝑃 problem.

Axions↗