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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The Crystal Structure of BaZn 2 Se 2 (OH) 2 Featuring Brownmillerite‐Type Layers

Abstract A bimetallic hydroxychalcogenide, BaZn 2 Se 2 (OH) 2 , was synthesized through hydrothermal pouch methods. The single crystal X‐ray diffraction and electron diffraction indicates that the phase crystallizes in the orthorhombic space group Pnma and is composed of anionic layers [ZnSe 3/3 (OH) 1/1 ] − that are separated and charged balanced by Ba 2+ cations. The [ZnSe 3/3 (OH) 1/1 ] – layer comprises two unique Zn sites, which form interpenetrating zigzag chains with an in‐plane dipole moment and adopts a brownmillerite‐type structural motif. The adjacent layers contain tetrahedrally coordinated Zn chains of opposite handedness related by an inversion center, which cancel the microscopic dipoles to minimize the macroscopic electric polarization. The adoption of a brownmillerite structural motif in BaZn 2 Se 2 (OH) 2 can be rationalized by the distinct charge difference between Se 2− and OH − anions, which creates a sufficient dipole moment in the ZnSe 3 (OH) tetrahedra to allow the occurrence of twisted chains. FTIR spectroscopy confirms the existence of OH − anions and DFT calculations indicate that BaZn 2 Se 2 (OH) 2 is a semiconductor with a direct band gap. This work expands the chemistry of the brownmillerite family from traditional homoanionic oxides to multianion hydroxychalcogenides, offering a new opportunity to explore tunable structural complexity for better design of functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Entanglement wedge reconstruction using the Petz map

At the heart of recent progress in AdS/CFT is the question of subregion duality, or entanglement wedge reconstruction: which part(s) of the boundary CFT are dual to a given subregion of the bulk? This question can be answered by appealing to the quantum error correcting properties of holography, and it was recently shown that robust bulk (entanglement wedge) reconstruction can be achieved using a universal recovery channel known as the twirled Petz map. In short, one can use the twirled Petz map to recover bulk data from a subset of the boundary. However, this map involves an averaging procedure over bulk and boundary modular time, and hence it can be somewhat intractable to evaluate in practice. We show that a much simpler channel, the Petz map, is sufficient for entanglement wedge reconstruction for any code space of fixed finite dimension – no twirling is required. Moreover, the error in the reconstruction will always be non-perturbatively small. From a quantum information perspective, we prove a general theorem extending the use of the Petz map as a general-purpose recovery channel to subsystem and operator algebra quantum error correction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Generalizations of the double-copy: the KLT bootstrap

We formulate a new program to generalize the double-copy of tree amplitudes. The approach exploits the link between the identity element of the “KLT algebra” and the KLT kernel, and we demonstrate how this leads to a set of KLT bootstrap equations that the double-copy kernel has to satisfy in addition to locality constraints. We solve the KLT bootstrap equations perturbatively to find the most general higher-derivative corrections to the 4- and 5-point field theory KLT kernel. The new kernel generalizes the string KLT kernel and its associated monodromy relations. It admits new color-structures in the effective theories it double-copies. It provides distinct generalized KK and BCJ relations for the left and right single-color theories and is in that sense a ‘heterotic’-type double-copy. We illustrate the generalized double-copy in detail for 4d Yang-Mills theory with higher-derivative corrections that produce dilaton-axion-gravity with local operators up order ∇ 10 R 4 . Finally, we initiate a search for new double-copy kernels.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Measurement of charged hadron multiplicity in Au + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV with the sPHENIX detector

The pseudorapidity distribution of charged hadrons produced in Au + Au collisions at a center-of-mass energy of $\sqrt{s_{NN}}$ = 200 GeV is measured using data collected by the sPHENIX detector. Charged hadron yields are extracted by counting cluster pairs in the inner and outer layers of the Intermediate Silicon Tracker, with corrections applied for detector acceptance, reconstruction efficiency, combinatorial pairs, and contributions from secondary decays. The measured distributions cover |η| < 1.1 across various centralities, and the average pseudorapidity density of charged hadrons at mid-rapidity is compared to predictions from Monte Carlo heavy-ion event generators. This result, featuring full azimuthal coverage at mid-rapidity, is consistent with previous experimental measurements at the Relativistic Heavy Ion Collider, thereby supporting the broader sPHENIX physics program.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Lorentzian dynamics and factorization beyond rationality

We investigate the emergence of topological defect lines in the conformal Regge limit of two-dimensional conformal field theory. We explain how a local operator can be factorized into a holomorphic and an anti-holomorphic defect operator connected through a topological defect line, and discuss implications on analyticity and Lorentzian dynamics including aspects of chaos. We derive a formula relating the infinite boost limit, which holographically encodes the “opacity” of bulk scattering, to the action of topological defect lines on local operators. Leveraging the unitary bound on the opacity and the positivity of fusion coefficients, we show that the spectral radii of a large class of topological defect lines are given by their loop expectation values. Factorization also gives a formula relating the local and defect operator algebras and fusion categorical data. We then review factorization in rational conformal field theory from a defect perspective, and examine irrational theories. On the orbifold branch of the c = 1 free boson theory, we find a unified description for the topological defect lines through which the twist fields are factorized; at irrational points, the twist fields factorize through “non-compact” topological defect lines which exhibit continuous defect operator spectra. Along the way, we initiate the development of a formalism to characterize non-compact topological defect lines.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A 3d disordered superconformal fixed point

We initiate the study of a three dimensional disordered supersymmetric field theory. Specifically, we consider a $\mathcal{N}$= 2 large N Wess-Zumino like model with cubic superpotential involving couplings drawn from a Gaussian random ensemble. Taking inspiration from analyses of lower dimensional SYK like models we demonstrate that the theory flows to a strongly coupled superconformal fixed point in the infra-red. In particular, we obtain leading large N spectral data and operator product coefficients at the critical point. Moreover, the analytic control accorded by the model allows us to compare our results against those derived in the conformal bootstrap program and demonstrate consistency with general expectations.

1/N expansion↗
DOE OSTI2024

Accidental suppression of Wilson coefficients in Higgs coupling

Higgs couplings are essential probes for physics beyond the Standard Model (BSM) since they can be modified by new physics, such as through the Higgs portal interaction |H| 2 Ο. These modifications influence Higgs interactions via dimension-6 operators of the form (∂|H| 2 ) 2 and |H| 6 , which are generally expected to be of comparable size. This paper discusses a phenomenon of accidental suppression, where the |H| 6 coupling is significantly smaller than (∂|H| 2 ) 2 . This suppression, arising from the truncation of the tree-level effective potential, lacks a clear symmetry explanation but persists in portal models. This paper aims to inspire further studies on additional instances of accidental suppression without symmetry explanations or a general framework to characterize such suppression. We also discuss constraints, at the HL-LHC and future colliders, on the Wilson coefficients of the two dimension-6 operators for various benchmark scenarios of the concrete model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Evaluation of normalization strategies for mass spectrometry-based multi-omics datasets

Introduction Data normalization is crucial for multi-omics integration, reducing systematic errors and maximizing the likelihood of discovering true biological variation. Most studies assess normalization for a single omics type or use datasets from separate experiments. Few address time-course data, where normalization might bias temporal differentiation. In this study, we compared common normalization methods and a machine learning approach, Systematical Error Removal using Random Forest (SERRF), using multi-omics datasets generated from the same experiment—even from the same cell lysate. Objectives To develop a straightforward process to assess normalization effects and identify the most robust methods across multi-omics datasets. Methods We analyzed metabolomics, lipidomics, and proteomics datasets from primary human cardiomyocytes and motor neurons exposed to acetylcholine-active compounds over time. Normalization effectiveness was evaluated based on improvement in QC features consistency and observing the change in treatment and time-related variance. Results Probabilistic Quotient Normalization (PQN) and Locally Estimated Scatterplot Smoothing (LOESS) QC were identified as optimal for metabolomics and lipidomics, while PQN, Median, and LOESS normalization excelled for proteomics. These methods consistently enhanced QC feature consistency in metabolomics and lipidomics, and preserved time-related variance or treatment-related variance in proteomics, demonstrating their effectiveness and robustness. SERRF normalization, applied only to metabolomics in this study, outperformed other methods in some datasets but inadvertently masked treatment-related variance in others. Conclusion Our evaluation identified PQN and LoessQC as the top methods for metabolomics and lipidomics, and PQN, Median, and Loess normalization for proteomics, in multi-omics integration in a temporal study.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Data-Driven Insights into the Structural Essence of Plasticity in High-Entropy Alloys

The heterogeneous mechanical response of a crystalline alloy with multiple principal elements was investigated using molecular dynamics simulations. The local configuration of the alloy in its quiescent state was characterized by the variables derived from the gyration tensor and the atomic electronegativity. A multivariate analysis identified the geometric and chemical factors that influenced the atomic packing variations. Further, upon straining, the non-affine displacement exhibited spatial heterogeneity. A statistical correlation was established between the local yield events and the specific features of the local configuration. Our findings, validated by the performance metrics analysis, provided a structural criterion for the instability mechanisms in high-entropy alloys (HEAs) and enhanced the understanding of their plasticity.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ultrasound-driven fabrication of high-entropy alloy nanocatalysts promoted by alcoholic ionic liquids

High-entropy alloy nanoparticles (HEA-NPs) are highly underutilized in heterogeneous catalysis due to the absence of a reliable, sustainable, and facile synthetic method. Herein, we report a facile synthesis of HEA nanocatalysts realized via an ultrasound-driven wet chemistry method promoted by alcoholic ionic liquids (AILs). Owing to the intrinsic reducing ability of the hydroxyl group, AILs were synthesized and utilized as environmentally friendly alternatives to conventional reducing agents and volatile organic solvents in the synthetic process. Under high-intensity ultrasound irradiation, Au 3+ , Pd 2+ , Pt 2+ , Rh 3+ , and Ru 3+ ions were co-reduced and transformed into single-phase HEA (AuPdPtRhRu) nanocrystals without calcination. Characterization results reveal that the as-synthesized nanocrystals are composed of elements of Au, Pd, Pt, Rh, and Ru as expected. Compared to the monometallic counterparts such as Pd-NPs, the carbon-supported HEA nanocatalysts show superior catalytic performance for selective hydrogenation of phenol to cyclohexanone in terms of yield and selectivity. Our synthetic strategy provides an improved and facile methodology for the sustainable synthesis of multicomponent alloys for catalysis and other applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High temperature ceramic thermal insulation material

Flexible and lightweight thermal insulation materials with hierarchical microstructures are ubiquitous in thermal management and protection systems. Ceramic aerogels promise high-temperature thermal insulation but lack mechanical robustness, while the fibrous materials with excellent mechanical elasticity display modest thermal insulation. Here we describe flexible hierarchical superhydrophobic ceramic insulation nanocomposites through the densified architectured hierarchical nanostructures, radiative insulation coating, and interfacial cross-linking among composites. The lightweight flexible ceramic nanocomposites exhibit a density of 0.13 g/cm 3 , high-temperature fire resistance with thermal conductivity of 0.024 W/(m·K), and super-hydrophobicity with the water contact angle of 152°. The mechanical robustness and high-temperature thermal insulation of ceramic nanocomposites, together with its soundproof performance, shed light on the low-cost flexible insulation materials manufacturing with scalability for high-temperature thermal insulation applications under high mechanical loading conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A sweeping positivity-preserving high-order finite difference WENO scheme for Euler equations

We develop a simple, high-order, conservative and robust positivity-preserving sweeping procedure for the density and the nonlinear pressure function in the compressible Euler equations. Using the scaling limiter in Zhang and Shu (J Comput Phys 229:3091–3120, 2010), we obtain a non-trivial extension of the scalar sweeping technique in Liu et al. (J Sci Comput 73:1028–1071, 2017) for the positivity of pressure. The sweeping procedure developed in this paper is a post-processing technique, which can be applied to any concave functions of the conserved variables in hyperbolic conservation law systems. Thus, it has applications beyond the Euler equations. This procedure preserves positivity and conservation of physical quantities without destroying the accuracy of the underlying scheme. The algorithm works for general schemes including finite difference, finite volume and discontinuous Galerkin methods; however, in this paper we focus on finite difference weighted essentially non-oscillatory (WENO) methods. As a result, we provide numerical tests of the fifth-order finite difference WENO scheme to demonstrate the accuracy and robustness of the technique.

Compressible Euler equations↗
DOE OSTI2024

Properties of the QCD matter: review of selected results from the relativistic heavy ion collider beam energy scan (RHIC BES) program

In the paper, we discuss the development of the multigap resistive plate chamber time-of-flight (TOF) technology and the production of the solenoidal tracker at RHIC (STAR) TOF detector in China at the beginning of the twenty-first century. Subsequently, recent experimental results from the first beam energy scan program (BES-I) at the Relativistic Heavy Ion Collider (RHIC) pertaining to measurements of collectivity, chirality, criticality, global polarization, strangeness, heavy flavor, dilepton and light nuclei productions are reviewed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

High-energy synchrotron x-ray study of deformation-induced martensitic transformation in a neutron-irradiated Type 316 stainless steel

An unusual tensile deformation behaviour in the form of a propagating band along the sample gauge was observed in two neutron-irradiated 316 stainless steel samples during room-temperature tests, leading to a combination of high strength and high ductility. These bands were not observed in an unirradiated counterpart. With the help of in situ high-energy synchrotron x-ray diffraction, the phase-specific crystal information was tracked at different deformation levels in each sample. Post-irradiation and post-deformation samples were examined using electron microscopy to characterize various microstructural features. All samples displayed a deformation-induced martensitic phase transformation, which was identified as a second strain-hardening mechanism accompanying the dislocation hardening. The deformation-induced martensitic transformation was rationalized by the effect of applied stress on the effective martensite start temperature. The results showed that the irradiation did not alter the dislocation hardening and the martensitic transformation mechanisms, but the increased yield strength in irradiated materials facilitated the localized phase transformation at the onset of plastic deformation, in contrast to the unirradiated material which required pre-straining. The hardening effect of the martensitic transformation reduced the tendency towards necking and mitigated the loss of ductility in the irradiated material by carrying the deformation in the form of a propagating band. Despite the beneficial effect from the martensitic transformation, this study indicates that this mechanism cannot not be activated at typical operating temperatures of nuclear reactors.

36 MATERIALS SCIENCE↗