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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Quantum speed limit for the out-of-time-ordered correlator from an open-system perspective

Scrambling, the delocalization of initially localized quantum information, is commonly characterized by the out-of-time-ordered correlator (OTOC). Employing the OTOC–Renyi-2 entropy theorem, we derive a quantum speed limit for the OTOC, which sets a lower bound for the rate with which information can be scrambled. This bound becomes particularly tractable by describing the scrambling of information in a closed quantum system as an effective decoherence process of an open system interacting with an environment. We prove that decay of the OTOC can be bounded by the strength of the system-environment coupling and two-point environmental correlation functions. We validate our analytic bound numerically using the nonintegrable transverse field Ising model. Furthermore, our results provide a universal and model-agnostic quantitative framework for understanding the dynamical limits of information spreading across quantum many-body physics, condensed matter systems, and engineered quantum platforms.

Fermions↗
DOE OSTI2025

Half-Life and Precision Shape Measurement of the 2⁢𝜈⁢𝛽⁢𝛽 Decay of 130 Te

Here, we present a new measurement of the 2⁢𝜈⁢𝛽⁢𝛽 half-life of 130 Te (𝑇$^{2⁢𝜈}_{1/2}$) using the first complete model of the CUORE data, based on 1038 kg yr of collected exposure. Thanks to optimized data selection, we achieve a factor of two improvement in precision, obtaining 𝑇$^{2⁢𝜈}_{1/2}$ = (9.32⁢$^{+0.05}_{−0.04}$⁢stat⁢ $^{+0.07}_{−0.07}$⁢syst)×10 20 yr. The signal-to-background ratio is increased by 70% compared to our previous results, enabling the first application of the improved 2⁢𝜈⁢𝛽⁢𝛽 formalism to 130 Te . Within this framework, we determine a credibility interval for the effective axial coupling in the nuclear medium as a function of nuclear matrix elements. We also extract values for the higher-order nuclear matrix element ratios: second-to-first and third-to-first. The second-to-first ratio agrees with nuclear model predictions, while the third-to-first ratio deviates from theoretical expectations. These findings provide essential tests of nuclear models and key inputs for future 0⁢𝜈⁢𝛽⁢𝛽 searches.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Radiative properties of an artificial atom coupled to a Josephson-junction array

We study the radiative properties—the Lamb shift, Purcell decay rate, and spontaneous emission dynamics—of an artificial atom coupled to a long, multimode cavity formed by an array of Josephson junctions. Introducing a tunable coupling element between the atom and the array, we demonstrate that such a system can exhibit a crossover from a perturbative to a nonperturbative regime of light-matter interaction as one strengthens the coupling between the atom and the Josephson-junction array. As a consequence, the concept of spontaneous emission as the occupation of the local atomic site being governed by a single complex-valued exponent breaks down. This breakdown, we show, can be interpreted in terms of formation of hybrid atom-resonator modes with radiative losses that are nontrivially related to the effective coupling between individual modes. We develop a singular function expansion approach for the description of the open quantum system dynamics in such a multimode nonperturbative regime. This modal framework generalizes the normal-mode description of quantum fields in a finite volume, incorporating exact radiative losses and incident quantum noise at the delimiting surface. Our results are pertinent to recent experiments with Josephson atoms coupled to high-impedance Josephson-junction arrays.

42 ENGINEERING↗
DOE OSTI2024

Weak entanglement approximation for nuclear structure

The interacting shell model, a configuration-interaction method, is a venerable approach for low-lying nuclear structure calculations, but it is hampered by the exponential growth of its basis dimension as one increases the single-particle space and/or the number of active particles. Recent, quantum-information-inspired work has demonstrated that the proton and neutron sectors of a nuclear wave function are weakly entangled. Furthermore, the entanglement is smaller for nuclides away from N = Z, such as heavy, neutron-rich nuclides. Here, in this study, we implement a weak entanglement approximation to bipartite configuration-interaction wave functions, approximating low-lying levels by coupling a relatively small number of many-proton and many-neutron states. This truncation scheme, which we present in the context of past approaches, reduces the basis dimension by many orders of magnitude while preserving essential features of nuclear spectra.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Structure of the (110) Ln ScO 3 ( Ln =Gd,Tb,Dy) surfaces

The surface reconstruction on the (110) surface of LnScO 3 (Ln=Gd,Tb,Dy) has been investigated using x-ray photoelectron spectroscopy, atomic force microscopy, and transmission electron diffraction coupled with higher-level density-functional theory methods. The experimental techniques generate constraints on the surface chemistry and structure that are used to inform the theoretical comparison of a number of potential surface structures. The resulting structure is then compared to experimental aberration-corrected transmission electron microscopy results using multislice simulation. The surfaces of both single-crystalline substrates and hydrosauna synthesized nanoparticles exhibit a Sc-rich double layer with a Sc 3 O 4 termination.

36 MATERIALS SCIENCE↗
DOE OSTI2025

California annual grass phenology and allometry influence ecosystem dynamics and fire regime in a vegetation demography model

Grass-dominated ecosystems cover wide areas of the land surface yet have received far less attention from the Earth System Model (ESM) community. This limits model projections of ecosystem dynamics in response to global change and coupled vegetation–climate dynamics. We used the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), a dynamic vegetation demography model, to determine ecosystem sensitivity to alternate, observed grass allometries and biophysical traits, and evaluated model performance in capturing California C 3 annual grasslands structure and fire regimes. Grass allometry, leaf physiology, plant phenology, and plant mortality all drove the seasonal variation in matter and energy exchange and fire dynamics in California annual grasslands. Allometry influenced grassland structure and function mainly through canopy architecture-mediated space and light competition instead of through carbon partitioning strategy. Regional variation in grassland annual burned area was driven by variation in ecosystem productivity. Our study advances the modeling of grassy ecosystems in ESMs by establishing the importance of grass allometry and plant phenology and mortality in driving C 3 annual grassland seasonal dynamics and fire regime. The calibrated annual grass allometry and biophysical traits presented can be applied in future studies to project climate–vegetation–fire feedbacks in annual grass-dominant ecosystems under global change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Single-molecule infrared spectroscopy with scanning tunneling microscopy

Probing vibrations at the single-molecule level is essential for achieving bond-specific chemical control in realistic heterogeneous environments. Here, we introduce a new measurement scheme that integrates frequency-tunable infrared excitation with scanning tunneling microscopy to characterize vibration-mediated nuclear motions of single molecules. We first validated the technique by monitoring the infrared-induced rotation of the ethynyl radical and then applied it to mapping pyrrolidine’s conformational dynamics. The resulting broadband spectra captured fundamental vibrational modes together with rich overtone and combination bands inaccessible by conventional methods, which we confirmed with isotopic substitutions. Density functional theory calculations showed that delocalized modes coupled with pyrrolidine ring puckering drive the structural transition, revealing altered selection rules compared with traditional infrared spectroscopy. Here, this new experimental platform enables molecular vibrations and transformations to be probed with atomic precision.

Liang, Kangkai [University of California, San Dieg↗
DOE OSTI2022

ADG: automated generation and evaluation of many-body diagrams

The goal of the present paper is twofold. First, a novel expansion many-body method applicable to superfluid open-shell nuclei, the so-called Bogoliubov in-medium similarity renormalization group (BIMSRG) theory, is formulated. This generalization of standard single-reference IMSRG theory for closed-shell systems parallels the recent extensions of coupled cluster, self-consistent Green’s function or many-body perturbation theory. Within the realm of IMSRG theories, BIMSRG provides an interesting alternative to the already existing multi-reference IMSRG (MR-IMSRG) method applicable to open-shell nuclei. The algebraic equations for low-order approximations, i.e., BIMSRG(1) and BIMSRG(2), can be derived manually without much difficulty. However, such a methodology becomes already impractical and error prone for the derivation of the BIMSRG(3) equations, which are eventually needed to reach high accuracy. Based on a diagrammatic formulation of BIMSRG theory, the second objective of the present paper is thus to describe the third version (v3.0) of the code that automatically (1) generates all valid BIMSRG(n) diagrams and (2) evaluates their algebraic expressions in a matter of seconds. This is achieved in such a way that equations can easily be retrieved for both the flow equation and the Magnus expansion formulations of BIMSRG. Expanding on this work, the first future objective is to numerically implement BIMSRG(2) (eventually BIMSRG(3)) equations and perform ab initio calculations of mid-mass open-shell nuclei.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Implementation of higher-order velocity mapping between marker particles and grid in the particle-in-cell code XGC

The global total-f gyrokinetic particle-in-cell code XGC, used to study transport in magnetic fusion plasmas or to couple with a core gyrokinetic code while functioning as an edge gyrokinetic code, implements a 5-dimensional (5D) continuum grid to perform the dissipative operations, such as plasma collisions, or to exchange the particle distribution function information with a core code. To transfer the distribution function between marker particles and a rectangular 2D velocity-space grid, XGC employs a bilinear mapping. The conservation of particle density and momentum is accurate enough in this bilinear operation, but the error in the particle energy conservation can become undesirably large and cause non-negligible numerical heating in a steep edge pedestal. In the present work we update XGC to use a novel mapping technique, based on the calculation of a pseudo-inverse, to exactly preserve moments up to the order of the discretization space. We describe the details of the implementation and we demonstrate the reduced interpolation error for a tokamak test plasma by using 1st- and 2nd-order elements with the pseudo-inverse method and comparing to the bilinear mapping.

Fusion Plasma↗
DOE OSTI2022

QCD factorization for hadronic quarkonium production at high $p_T$

Heavy quarkonium production at high transverse momentum ( p_T p T ) in hadronic collisions is explored in the QCD factorization approach. We find that the leading power in the 1/p_T 1 / p T expansion is responsible for high p_T p T regime, while the next-to-leading power contribution is necessary for the low p_T p T region. We present the first numerical analysis of the scale evolution of coupled twist-2 and twist-4 fragmentation functions (FFs) for heavy quarkonium production and demonstrate that the QCD factorization approach is capable of describing the p_T p T spectrum of hadronic J/\psi J / ψ production at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

DOE Energy Frontier Research Centers Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio)

New capabilities to predict, design and control the chemistries of carbon could answer a global imperative to transition from fossil-based to sustainable transportation fuels. While the use of inexpensive hydrocarbons has been an unparalleled achievement and enabler of economic prosperity for many nations, singular dependence upon crude oil has given rise to systemic vulnerabilities in climate, energy, economic, and national security. Lignocellulosic biomass, a renewable and carbon-neutral resource, has the potential to displace an estimated annual equivalent of three billion barrels of oil in the U.S. alone (National Research Council 2009, U. S. Department of Energy, 2011). However, biomass has only one-third the energy density of crude oil (Agrawal and Singh 2009, Richard 2010) and lacks petroleum’s versatility as a feedstock for fuels and chemicals. These limitations keep biomass conversion below the efficiency level needed for strategic impact while the scientific challenge of routing carbon from one molecular context to another remains unmet. In 2009, the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio) recognized the potential of chemical catalysis and fast pyrolysis to overcome such limitations by transforming the main components of biomass (cellulose, xylan, and lignin) from grasses and trees directly to liquid hydrocarbons and aromatic co-products. Enabled by the EFRC high-risk, high-reward approach to grand challenge science, C3Bio researchers have been key national players in disrupting the conventional paradigm of the cellulosic biorefinery into a new future of “no carbon left behind”—the full utilization of carbon from plant cell walls in energy-dense fuels (Fig. 1). We identified catalytic and fast-pyrolytic pathways that utilize cellulose, xylan and, most significantly, lignin. We developed catalytic processes that deoxygenate and transform monomers and isolated polymers into useful products and tested their use with intact biomass. We gained control of lignin synthesis within plants and initiated tailoring biomass to its end-use through the tools of plant molecular biology and genetic engineering. C3Bio breakthroughs have increased the energy density of biomass-derived substrates via catalytic and pyrolytic conversions into products such as benzoquinones, furfural and hydroxymethylfurfural, levoglucosan and levulinic acid, methoxypropylphenols and propylbenzene. Such advances in biomass conversion would not have been possible without simultaneous advances in analytical instrumentation and methodologies, and imaging technologies and applications. The legacy science developed by C3Bio enables design and control strategies for achieving a targeted product portfolio of fuel and chemical feedstocks from a diverse range of native and tailored biomass. Our research provides the knowledge base required for a bio-economy with product streams as diverse in functionality as those of the petrochemical industry. Coupling targeted computational modeling with experimentation, we achieved: (1) fundamental understanding of biopolymers and cell wall architecture assembly, (2) discovery of new chemistries that allow the development of highly selective pathways to fuels and desirable chemicals, and (3) an integrated systems-level understanding to control catalytic and pyrolytic pathways.

09 BIOMASS FUELS↗
DOE OSTI2022

Energy-Energy Correlators for Precision QCD

In this contribution to the Proceedings of the US Community Study on the Future of Particle Physics (Snowmass 2021) we review recent progress in the evaluation and application of the Energy-Energy Correlator (EEC) event shape observable in $e^+e^⁻$ annihilation, hadronic collisions, and deep inelastic scattering. The importance of EEC as a precision probe of the perturbative and non perturbative aspects of QCD dynamics is emphasized. It can be used to extract the strong coupling constant and to constrain TMD distribution functions. Closely related energy-correlation shape variables have also been used to tag boosted objects produced in high energy collisions. The opportunities to study EEC at the future Electron-Ion Collider are also highlighted.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

High-Temperature Thermodynamics of Uranium from Ab Initio Modeling

We present high-temperature thermodynamic properties for uranium in its γ phase (γ-U) from first-principles, relativistic, and anharmonic theory. The results are compared to CALPHAD modeling. The ab initio electronic structure is obtained from density-functional theory (DFT) that includes spin–orbit coupling and an added self-consistent orbital-polarization (OP) mechanism for more accurate treatment of magnetism. The first-principles method is coupled to a lattice dynamics scheme that is used to model anharmonic lattice vibrations, namely, Self-Consistent Ab Initio Lattice Dynamics (SCAILD). The methodology can be summarized in the acronym DFT + OP + SCAILD. Upon thermal expansion, γ-U develops non-negligible magnetic moments that are included for the first time in thermodynamic theory. The all-electron DFT approach is shown to model γ-U better than the commonly used pseudopotential method. In addition to CALPHAD, DFT + OP + SCAILD thermodynamic properties are compared with other ab initio and semiempirical modeling and experiments. Our first-principles approach produces Gibbs free energy that is essentially identical to CALPHAD. The DFT + OP + SCAILD heat capacity is close to CALPHAD and most experimental data and is predicted to have a significant thermal dependence due to the electronic contribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1973

The dynamic behavior and compliance of a stream of cavitating bubbles.

Study of the dynamic response of streams of cavitating bubbles to imposed pressure fluctuations to determine the role played by turbopump cavitation in the POGO instability of liquid rockets. Both quasi-static and more general linearized dynamic analyses are made of the perturbations to a cavitating flow through a region of reduced pressure in which the bubbles first grow and then collapse. The results, when coupled with typical bubble number density distribution functions, yield compliances which compare favorably with the existing measurements. Since the fluids involved are frequently cryogenic, a careful examination was made of the thermal effects both on the mean flow and on the perturbations. As a result, the discrepancy between theory and experiment for particular engines could be qualitatively ascribed to reductions in the compliance caused either by these thermal effects or by relatively high reduced frequencies.

Brennen, C.↗
NASA NTRS1980

Thermal models for solar hard X-ray bursts

Thermal models for hard X-ray bursts consisting of a one-dimensional flux tube whose central electrons are heated to about 400 million K are examined. It is found that the evolution of a thermal X-ray source is a sensitive function of the electron-ion thermal coupling and the state of the plasma into which the source expands. When this coupling is weak, the heated electrons separate into a region of high temperature of about 400 million K and a region of lower temperature of about 100 million K, a process which leads to a power-law X-ray spectrum. In the case of strong coupling there is only one dominant temperature, about 200 million K, and the X-ray spectrum resembles a true thermal spectrum.

Smith, D. F.↗
NASA NTRS1980

Small scale wind perturbation analysis for vertically rising launch vehicles

This paper discusses the determination of small-scale vertical wind spectra used with space flight and ballistic technology. In particular, Jimsphere, a precision balloon wind sensor with high radar reflectivity is considered. Gross wind velocity data is analyzed to subtract the steady-state wind and wind change-shear effects. A residue of small wind perturbations is left in the horizontal (scalar) along the vertical direction. An analysis leading to formulation of the covariance function with altitude is presented. The function is decoupled to yield an almost periodic representation of the vertical wind perturbations. Forcing functions are determined when the representation is coupled with the vehicle velocity characteristics.

Chenoweth, H. B.↗
NASA NTRS1982

IUE observations of reflection nebulae

Low-resolution IUE spectra in the SWP and LWR ranges were obtained of several reflection nebulae in the vicinity of their respective illuminating stars. Data for NGC 7023 (HD200775), NGC 1435 (Merope, 23 Tau), NGC 1432 (Maia, 20 Tau) and the Electra (17 Tau) nebula were found to display significant differences in the shape of their normalized nebular spectra. If the dust in these nebulae is similar from one object to the next, these differences can be most readily explained by differences in the line-of-sight dust distribution, coupled with a wavelength-dependent phase function, changing from a strongly forward throwing form (g = 0.6-0.7) in the visible to a more nearly isotropic shape (g approximately 0.25) at 1400A.

Witt, A. N.↗