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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Predicting Thermochemical Equilibria with Interacting Defects: Sr 1 − x Ce x Mn O 3 − δ Alloys for Water Splitting

Solar thermochemical hydrogen is one of the few potential routes towards direct fuel production from renewable energy sources, but the thermodynamic boundary conditions for efficient and economic energy conversion are challenging. Success or failure of a given oxide working material depends on the subtle balance between enthalpy and entropy contributions in the redox processes. Developing a mechanistic understanding of the behavior of materials on the basis of atomistic models and first-principles calculations is an important part of advancing the technology. One challenge is to quantitatively predict thermochemical equilibria at high concentrations when the redox-active defects start to interact with each other, thereby impeding the formation of additional defects. This problem is of more general importance to applications that rely on high levels of off-stoichiometry or doping, including, for example, batteries, thermoelectrics, and ceramic fuel cells. To account for such repulsive defect interactions, we introduce a statistical mechanics approach, defining an expression for the free energy of defect interaction based on limited sampling of defect configurations in density functional theory supercell calculations. The parameterization of this energy contribution as a function of defect concentration and temperature allows on-the-fly simulation of thermochemical equilibria. The approach consistently incorporates finite temperature effects by including the leading contributions to the temperature-dependent free energy for the case at hand, i.e., the ideal gas and configurational enthalpies and entropies. We demonstrate the capability and utility of the approach by simulating the water splitting redox processes for Sr 1 − x Ce x Mn O 3 − δ alloys. Published by the American Physical Society 2024

08 HYDROGEN↗
DOE OSTI2022

Statics and dynamics of skyrmions interacting with disorder and nanostructures

Magnetic skyrmions are topologically stable nanoscale particlelike objects that were discovered in 2009. Since that time, intense research interest in the field has led to the identification of numerous compounds that support skyrmions over a range of conditions spanning from cryogenic to room temperatures. Skyrmions can be set into motion under various types of driving, and the combination of their size, stability, and dynamics makes them ideal candidates for numerous applications. At the same time, skyrmions represent a new class of system in which the energy scales of the skyrmion-skyrmion interactions, sample disorder, temperature, and drive can compete. A growing body of work indicates that the static and dynamic states of skyrmions can be influenced strongly by pinning or disorder in the sample; thus, an understanding of such effects is essential for the eventual use of skyrmions in applications. The current state of knowledge regarding individual skyrmions and skyrmion assemblies interacting with quenched disorder or pinning is reviewed. Additionally, the microscopic mechanisms for skyrmion pinning, including the repulsive and attractive interactions that can arise from impurities, grain boundaries, or nanostructures, are outlined. This is followed by descriptions of depinning phenomena, sliding states over disorder, the effect of pinning on the skyrmion Hall angle, the competition between thermal and pinning effects, the control of skyrmion motion using ordered potential landscapes such as one- or two-dimensional periodic asymmetric substrates, the creation of skyrmion diodes, and skyrmion ratchet effects. Highlighted are the distinctions arising from internal modes and the strong gyrotropic or Magnus forces that cause the dynamical states of skyrmions to differ from those of other systems with pinning, such as vortices in type-II superconductors, charge density waves, or colloidal particles. Throughout this review future directions and open questions related to the pinning and dynamics in skyrmion systems are also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Search for an Anomalous Production of Charged-Current 𝜈 𝑒 Interactions without Visible Pions across Multiple Kinematic Observables in MicroBooNE

This Letter presents an investigation of low-energy electron-neutrino interactions in the Fermilab Booster Neutrino Beam by the MicroBooNE experiment, motivated by the excess of electron-neutrino-like events observed by the MiniBooNE experiment. This is the first measurement to use data from all five years of operation of the MicroBooNE experiment, corresponding to an exposure of 1.11 × 10 21 protons on target, a 70% increase on past results. Two samples of electron neutrino interactions without visible pions are used, one with visible protons and one without any visible protons. The MicroBooNE data show reasonable agreement with the nominal prediction, with 𝑝 values ≥26.7% when the two 𝜈 𝑒 samples are combined, though the prediction exceeds the data in limited regions of phase space. The data are further compared to two empirical models that modify the predicted rate of electron-neutrino interactions in different variables in the simulation to match the unfolded MiniBooNE low energy excess. In the first model, this unfolding is performed as a function of electron neutrino energy, while the second model aims to match the observed shower energy and angle distributions of the MiniBooNE excess. This measurement excludes an electronlike interpretation of the MiniBooNE excess based on these models at >99% CLs in all kinematic variables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Measurement of charged-current muon neutrino-argon interactions without pions in the final state using the MicroBooNE detector

We report a new measurement of flux-integrated differential cross sections for charged-current (CC) muon neutrino interactions with argon nuclei that produce no final-state pions (𝜈 𝜇 ⁢CC⁢0⁢𝜋). These interactions are of particular importance as a topologically defined signal dominated by quasielasticlike interactions. This measurement was performed with the MicroBooNE liquid argon time projection chamber detector located at the Fermilab Booster Neutrino Beam and uses an exposure of 1.3 ×10 21 protons on target collected between 2015 and 2020. The results are presented in terms of single- and double-differential cross sections as a function of the final-state muon momentum and angle. The data are compared with widely used neutrino event generators. We find good agreement with the single-differential measurements, while only a subset of generators are also able to adequately describe the data in double-differential distributions. This work facilitates comparison with Cherenkov detector measurements, including those located at the Booster Neutrino Be

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Stability, electronic quantum states, and magnetic interactions of Er 3+ ions in Ga 2 ⁢O 3

Here, we report an ab initio study of phase stability, defect formation, electronic structure, and multiple magnetic, Dzyaloshinskii-Moriya, optical, hyperfine, and crystal field interactions in erbium (Er)-doped wide band gap 𝛼- and 𝛽-gallium oxides (Ga 2 ⁢O 3 ), critically important to make a foundation for both optoelectronic and quantum information applications. The chemical, structural, mechanical, and dynamical stabilities of the pristine phases are confirmed from respective negative formation energies, negative cohesive energies, favorable elastic constants, and positive phonon frequencies. The phonon dispersions indicate that the Ga-O bonds are uniform in the 𝛼-phase, while they vary in the 𝛽-phase due to the anisotropic polyhedral movement. The defect formation energy analysis confirms that both Er-doped 𝛼- and 𝛽−Ga 2 ⁢O 3 prefer Er 3+ (neutral) state. The underestimated band gaps of the pristine phases from standard density functional theory (DFT) calculations as compared to experimental values are corrected by employing the hybrid functional calculations, resulting in the indirect band gaps of 5.21 eV in 𝛼−Ga 2 ⁢O 3 and 4.94 eV in 𝛽−Ga 2 ⁢O 3 . The site preference energy analysis indicates partial occupation of Er in the octahedral site of Ga. The anisotropic nature of hyperfine tensor coefficients of Er is similar in both phases, which may be due to the occupation of Er in the same octahedral Ga site. On the other hand, the calculated magnetic exchange interaction between two Er dopants is negative for 𝛼 and positive for 𝛽, indicating an antiferromagnetic (AFM) ground state in the former and a ferromagnetic (FM) ground state in the latter. Large values of Dzyaloshinskii-Moriya interactions (DMIs) are obtained along the 𝑥 direction in the 𝛼 and along the 𝑦 direction in the 𝛽. The large DMI may support exotic magnetic textures, a promising direction for spintronic applications. The analysis of dielectric constants and refractive indices of both pristine and Er-doped phases shows a good agreement with available experimental values. The calculated optical anisotropy is slightly higher in 𝛽 than those in 𝛼, which is due to the involvement of lower symmetry in 𝛽. The crystal field coefficients (CFCs) calculated from DFT are used to analyze 4⁢𝑓 multiplets and 4⁢𝑓 −4⁢𝑓 transitions. Thus calculated lowest energy level of the first excited state to the lowest energy level of the ground state is about 1.53 µ⁢m, which is in a good agreement with available experiments, and it falls within the quantum telecommunication wavelength range.

3-dimensional systems↗
DOE OSTI2022

Tackling the Challenges in Scene Graph Generation With Local-to-Global Interactions

In this work, we seek new insights into the underlying challenges of the scene graph generation (SGG) task. Quantitative and qualitative analysis of the visual genome (VG) dataset implies: 1) ambiguity: even if interobject relationship contains the same object (or predicate), they may not be visually or semantically similar; 2) asymmetry: despite the nature of the relationship that embodied the direction, it was not well addressed in previous studies; and 3) higher-order contexts: leveraging the identities of certain graph elements can help generate accurate scene graphs. Motivated by the analysis, we design a novel SGG framework, Local-to-global interaction networks (LOGINs). Locally, interactions extract the essence between three instances of subject, object, and background, while baking direction awareness into the network by explicitly constraining the input order of subject and object. Globally, interactions encode the contexts between every graph component (i.e., nodes and edges). Finally, Attract and Repel loss is utilized to fine-tune the distribution of predicate embeddings. By design, our framework enables predicting the scene graph in a bottom-up manner, leveraging the possible complementariness. To quantify how much LOGIN is aware of relational direction, a new diagnostic task called Bidirectional Relationship Classification (BRC) is also proposed. Overall, experimental results demonstrate that LOGIN can successfully distinguish relational direction than existing methods (in BRC task), while showing state-of-the-art results on the VG benchmark (in SGG task).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Interactive Visual Study of Multiple Attributes Learning Model of X-Ray Scattering Images

Existing interactive visualization tools for deep learning are mostly applied to the training, debugging, and refinement of neural network models working on natural images. However, visual analytics tools are lacking for the specific application of x-ray image classification with multiple structural attributes. In this paper, we present an interactive system for domain scientists to visually study the multiple attributes learning models applied to x-ray scattering images. It allows domain scientists to interactively explore this important type of scientific images in embedded spaces that are defined on the model prediction output, the actual labels, and the discovered feature space of neural networks. Users are allowed to flexibly select instance images, their clusters, and compare them regarding the specified visual representation of attributes. The exploration is guided by the manifestation of model performance related to mutual relationships among attributes, which often affect the learning accuracy and effectiveness. The system thus supports domain scientists to improve the training dataset and model, find questionable attributes labels, and identify outlier images or spurious data clusters. Case studies and scientists feedback demonstrate its functionalities and usefulness.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Intra‐species genetic variability drives carbon metabolism and symbiotic host interactions in the ectomycorrhizal fungus Pisolithus microcarpus

Summary Ectomycorrhizal (ECM) fungi are integral to boreal and temperate forest ecosystem functioning and nutrient cycling. ECM fungi, however, originate from diverse saprotrophic lineages and the impacts of genetic variation across species, and especially within a given ECM species, on function and interactions with the environment is not well understood. Here, we explore the extent of intra‐species variation between four isolates of the ECM fungus Pisolithus microcarpus , in terms of gene regulation, carbon metabolism and growth, and interactions with a host, Eucalyptus grandis . We demonstrate that, while a core response to the host is maintained by all of the isolates tested, they have distinct patterns of gene expression and carbon metabolism, resulting in the differential expression of isolate‐specific response pathways in the host plant. Together, these results highlight the importance of using a wider range of individuals within a species to understand the broader ecological roles of ECM fungi and their host interactions.

Plett, Krista L.↗
DOE OSTI2022

Employing sequential experiments to gain insights on the interaction between creep and fatigue damage in Ni‐base superalloys

Abstract The interaction between creep and fatigue damage in Ni‐base superalloy CMSX‐8 was explored using a sequential workflow that decouples creep and fatigue steps to quantify how accumulated creep damage interacts with subsequent isothermal low‐cycle fatigue (LCF) and vice versa. Two workflows were considered: creep followed by LCF and LCF followed by creep. For the first workflow, the subsequent LCF was evaluated at temperatures of 20°C, 750°C, and 1100°C. It was found that the extent of deleterious interaction of prior creep on LCF depended on increasing subsequent fatigue test temperature. For the LCF followed by creep, fatigue tests were first conducted at 20°C and 1100°C to 60% of life, and then creep was conducted at 800°C, where primary creep is promoted, or 900°C, where primary creep is absent. LCF damage accumulated at 1100°C accelerated creep and decreased ductility, while fatigue damage at room temperature had minimal effect on the creep behavior.

Gorgannejad, Sanam↗
DOE OSTI2022

Resource selection and species interactions between native and non‐native fishes in a simulated stream system

Abstract Effective fishery management necessitates understanding of resource partitioning by fishes that inhabit complex systems composed of biotic and abiotic features. Evaluations of non‐native species introductions have continually demonstrated adverse effects associated with abundance and distribution of native fishes. Therefore, understanding resource selection and interactions between native and non‐native species is important for recovery efforts. Habitat use by two native fish species (largescale sucker Catostomus macrocheilus [Girard] and mountain whitefish Prosopium williamsoni [Girard]) and one non‐native fish species (pumpkinseed Lepomis gibbosus [Linnaeus]) of the Kootenai River, Idaho, were evaluated in a laboratory stream system. Trials were conducted in allopatry and in sympatry with and without the presence of wood to describe habitat selection in the context of on‐going habitat rehabilitation efforts. Interactions were evident between native largescale sucker and non‐native pumpkinseed concerning use of a woody structure and current velocity. Mountain whitefish used low‐velocity habitats and selected locations that were further from wood when in sympatry with pumpkinseed. Our research suggests that habitat use of native, large‐river fishes may be influenced by the presence of a non‐native species, and that considering such interactions is critical when designing and implementing habitat rehabilitation efforts in river ecosystems.

Branigan, Philip R.↗
DOE OSTI2022

Microstructural examination of interactions between chromia-based refractory and nuclear glass in a melter

This study shows the effects of nuclear waste glass production on Monofrax K-3 refractory corrosion. A continuously fed research-scale melter containing an Fe- and Ni-rich simulated nuclear waste feed with borosilicate glass-forming chemicals was cyclically melted at 1150°C and idled at 1050°C for a total of 11 weeks. Chemical maps using scanning electron microscopy show the interactions between the quenched melt and the refractory. Nanoscale X-ray-computed tomography was used for a three-dimensional visualization of certain parts of the interface. Unreacted K-3 consists of primarily corundum (Al,Cr) 2 O 3 and spinel (Fe 2+ ,Mg)(Al,Cr) 2 O 4 interlocking crystalline phases. Some of the Cr from the refractory interacts with the Ni and Fe from the melt to form a reaction layer comprising (Ni,Fe 2+ )(Cr,Fe 3+ ) 2 O 4 spinel crystals. Simultaneously, melt components (Na,Si) infiltrate into the refractory. This interaction proceeds at the expense of the integrity of the refractory structure. Intact refractory grains (e.g., (Al,Cr) 2 O 3 ) as well as the reaction layer itself can lose mechanical integrity and spall off into the melt, especially near the top of the melter. As the reaction layer can be a protective boundary for the refractory against further melt infiltration, a reduction in the reaction layer thickness allows an increase in refractory corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High phase resolution: Probing interactions in complex interfaces with sum frequency generation

An often-quoted statement attributed to Wolfgang Pauli is that God made the bulk, but the surface was invented by the devil. Although humorous, the statement really reflects frustration in developing a detailed picture of a surface. In the last several decades, that frustration has begun to abate with numerous techniques providing clues to interactions and reactions at surfaces. Often these techniques require considerable prior knowledge. Complex mixtures on irregular or soft surfaces—complex interfaces—thus represent the last frontier. Two optical techniques: sum frequency generation (SFG) and second harmonic generation (SHG) are beginning to lift the veil on complex interfaces. Of these techniques, SFG with one excitation in the infrared has the potential to provide exquisite molecular- and moiety-specific vibrational data. This Perspective is intended both to aid newcomers in gaining traction in this field and to demonstrate the impact of high-phase resolution. It starts with a basic description of light-induced surface polarization that is at the heart of SFG. The sum frequency is generated when the input fields are sufficiently intense that the interaction is nonlinear. This nonlinearity represents a challenge for disentangling data to reveal the molecular-level picture. Three, high-phase-resolution methods that reveal interactions at the surface are described.

Biophysics↗
DOE OSTI2024

Electronic interactions in Dirac fluids visualized by nano-terahertz spacetime interference of electron-photon quasiparticles

Ultraclean graphene at charge neutrality hosts a quantum critical Dirac fluid of interacting electrons and holes. Interactions profoundly affect the charge dynamics of graphene, which is encoded in the properties of its electron-photon collective modes: surface plasmon polaritons (SPPs). Here, we show that polaritonic interference patterns are particularly well suited to unveil the interactions in Dirac fluids by tracking polaritonic interference in time at temporal scales commensurate with the electronic scattering. Spacetime SPP interference patterns recorded in terahertz (THz) frequency range provided unobstructed readouts of the group velocity and lifetime of polariton that can be directly mapped onto the electronic spectral weight and the relaxation rate. Our data uncovered prominent departures of the electron dynamics from the predictions of the conventional Fermi-liquid theory. The deviations are particularly strong when the densities of electrons and holes are approximately equal. The proposed spacetime imaging methodology can be broadly applied to probe the electrodynamics of quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Valley-spin polarization at zero magnetic field induced by strong hole-hole interactions in monolayer WSe 2

Monolayer transition metal dichalcogenides have emerged as prominent candidates to explore the complex interplay between spin and valley degrees of freedom. Their strong spin-orbit interaction and broken inversion symmetry lead to the spin-valley locking effect, in which carriers occupying theKandK′ valleys of the reciprocal space must have opposite spins. This effect is particularly strong for holes due to a larger spin-orbit gap in the valence band. By reducing the dimensionality of a monolayer of WSe 2 to 1D via electrostatic confinement, we demonstrate that spin-valley locking and strong hole-hole interactions lead to a ferromagnetic state where hole transport is spin-valley polarized, even without an applied magnetic field. A massive Dirac fermion model in the Hartree-Fock approximation reveals that many-body hole-exchange interactions lead to this polarized ground-state. This observation opens the possibility of implementing a robust and stable valley-polarized system, essential in valleytronic applications.

Science & Technology - Other Topics↗
DOE OSTI2025

CpoS-Inc interactions facilitate host cell modulation during Chlamydia trachomatis infection

ABSTRACT Chlamydia trachomatis ( C.t .), the leading bacterial cause of sexually transmitted infections, replicates within a unique intracellular compartment called the inclusion, which is modified by secreted proteins known as inclusion membrane (Inc) proteins. Here, we further characterize CpoS, an Inc protein previously shown to be critical for bacterial replication and inclusion development. We demonstrate that CpoS directly binds multiple coiled-coil region-containing Incs and engages Rab GTPases at a separate site. Notably, CpoS-InaC interactions facilitate the recruitment of select Arf GTPases to the inclusion membrane, while Rab recruitment occurs independently of these interactions. Biochemical and biophysical analyses revealed that Incs self-oligomerize to form higher-ordered structures, with CpoS adopting a tetrameric conformation resembling that of eukaryotic SNARE proteins. We propose that these assemblies serve as scaffolds to orchestrate vesicle docking, tethering, and fusion. Our findings highlight the intricate interplay between bacterial and host factors, revealing how C.t . leverages both Inc-Inc interactions and host protein engagement to manipulate vesicular trafficking and sustain infection.

Tijerina, Xavier [Department of Microbiology and I↗
DOE OSTI2020

JEDI-net: a jet identification algorithm based on interaction networks

Abstract We investigate the performance of a jet identification algorithm based on interaction networks (JEDI-net) to identify all-hadronic decays of high-momentum heavy particles produced at the LHC and distinguish them from ordinary jets originating from the hadronization of quarks and gluons. The jet dynamics are described as a set of one-to-one interactions between the jet constituents. Based on a representation learned from these interactions, the jet is associated to one of the considered categories. Unlike other architectures, the JEDI-net models achieve their performance without special handling of the sparse input jet representation, extensive pre-processing, particle ordering, or specific assumptions regarding the underlying detector geometry. The presented models give better results with less model parameters, offering interesting prospects for LHC applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurement of the CP properties of Higgs boson interactions with $\tau$-leptons with the ATLAS detector

A study of the charge conjugation and parity ($CP$) properties of the interaction between the Higgs boson and $\tau$-leptons is presented. The study is based on a measurement of $CP$-sensitive angular observables defined by the visible decay products of $\tau$-leptons produced in Higgs boson decays. The analysis uses 139 fb -1 of proton–proton collision data recorded at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV with the ATLAS detector at the Large Hadron Collider. Contributions from $\tau$-violating interactions between the Higgs boson and $\tau$-leptons are described by a single mixing angle parameter Φ $\tau$ in the generalised Yukawa interaction. Without constraining the $H$ $\rightarrow$ $\tau$$\tau$ signal strength to its expected value under the Standard Model hypothesis, the mixing angle Φ $\tau$ is measured to be 9° ± 16°, with an expected value of 0° ± 28° at the 68% confidence level. The pure $CP$-odd hypothesis is disfavoured at a level of 3.4 standard deviations. The results are compatible with the predictions for the Higgs boson in the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Measurements of higher-order cumulants of multiplicity and net-electric charge distributions in inelastic proton-proton interactions by NA61/SHINE

This paper presents the energy dependence of multiplicity and net-electric charge fluctuations in p+p interactions at beam momenta 20, 31, 40, 80, and 158 \(\text{ Ge }\hspace{-1.00006pt}\text{ V }\!/\!c\). Results are corrected for the experimental biases and quantified with the use of cumulants and factorial cumulants. Cumulant ratios are an essential tool in the search for the critical point of strongly interacting matter in heavy ion collisions. Measurements performed in p+p interactions provide a vital baseline estimation in these studies. The measured signals are compared with the string hadronic models Epos1.99 and FTFP-BERT.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗