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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Constructing Hubbard models for the hydrogen chain using sliced-basis density matrix renormalization group

Sliced-basis DMRG(sb-DMRG) is used to simulate a chain of hydrogen atoms and to construct low-energy effective Hubbard-like models. The downfolding procedure first involves a change of basis to a set of atom-centered Wannier functions constructed from the natural orbitals of the exact DMRG one-particle density matrix. The Wannier function model is then reduced to a fewer-parameter Hubbard-like model, whose parameters are determined by minimizing the expectation value of the Wannier Hamiltonian in the ground state of the Hubbard Hamiltonian. This indirect variational procedure not only yields compact and simple models for the hydrogen chain, but also allows us to explore the importance of constraints in the effective Hamiltonian, such as the restricting the range of the single-particle hopping and two-particle interactions, and to assess the reliability of more conventional downfolding. The entanglement entropy for a model's ground state, cut in the middle, is an important property determining the ability of DMRG and tensor networks to simulate the model, and here we study its variation with the range of the interactions. Counterintuitively, we find that shorter ranged interactions often have larger entanglement.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Search for monopole-dipole interactions with atom interferometry

Light, weakly coupled bosonic particles such as axions can mediate long range monopole-dipole interactions between matter and spins. We propose a new experimental method to detect such a force exerted by the spin of electrons on a freely falling atom using atom interferometry. The intrinsic advantages of atom interferometry, such as the freely falling nature of the atom and the well-defined response of the atom to external magnetic fields, should enable the proposed method to overcome systematic effects induced by vibrations, magnetic fields, and gravity. This approach is most suited to probe forces with a range ≳ 10 cm. With current technology, our proposed setup could potentially extend probes of such forces by an order of magnitude beyond present laboratory limits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1991

Planar near-field scanning for compact range bistatic radar cross-section measurement

The design, construction, and testing of a low cost, planar scanning system to be used in a compact range environment for bistatic radar cross-section (bistatic RCS) measurement data are discussed. This scanning system is similar to structures used for measuring near-field antenna patterns. A synthetic aperture technique is used for plane wave reception. System testing entailed comparison of measured and theoretical bistatic RCS of a sphere and a right circular cylinder. Bistatic scattering analysis of the ogival target support, target and pedestal interactions, and compact range room was necessary to determine measurement validity.

Tuhela-Reuning, S. R.↗
DOE OSTI2023

Solar Farm Development Impacts on Eastern Box Turtle ( Terrapene carolina ) Home Ranges

Eastern Box Turtle (Terrapene carolina) populations have declined drastically since 1970 because of continued destruction and fragmentation of their habitat. Although they are known to shift their home ranges because of environmental degradation, it is unknown how solar arrays impact Eastern Box Turtles. From 2011–2018, we collected data on Eastern Box Turtle movement and occupancy in a 79-ha solar farm. The solar farm is divided into six fenced areas, each containing wildlife openings for movement of terrestrial fauna every 23 m around the fenced solar arrays. For this work, we hypothesized that the solar arrays changed the home range sizes of turtles that interacted with the field. We fitted 41 Eastern Box Turtles with radio transmitters and tracked their locations twice per week in June–August from 2011–2018. Seventeen turtles had home ranges that overlapped with the solar arrays whereas 24 turtles had home ranges that never interacted with the solar arrays. We calculated home range sizes and tested for differences between overlapping and nonoverlapping groups. We further considered if the number of observations within the solar farm impacted home range size and displacement. We found that Eastern Box Turtles that used the solar farm exhibited 55–83% larger home ranges on average than turtles in natural habitats, but there was no significant association of home range size with the amount of time observed within the solar farm. Finally, we discuss strategies to mitigate negative impacts of solar farm development on turtles.

Radio telemetry↗
DOE OSTI2011

Improved methods for calculating thermodynamic properties of magnetic systems using Wang-Landau density of states

The Wang-Landau method [F. Wang and D. P. Landau, Phys. Rev. E 64, 056101 (2001)] is an efficient way to calculate the density of states (DOS) for magnetic systems, and the DOS can then be used to rapidly calculate the thermodynamic properties of the system. A technique is presented that uses the DOS for a simple Hamiltonian to create a stratified sample of configurations which are then used calculate a warped DOS for more realistic Hamiltonians. This technique is validated for classical models of bcc Fe with exchange interactions of increasing range, but its real value is using the DOS for a model Hamiltonian calculated on a workstation to select the stratified set of configurations whose energies can then be calculated for a density-functional Hamiltonian. The result is an efficient first-principles calculation of thermodynamic properties such as the specific heat and magnetic susceptibility. Another technique uses the sample configurations to calculate the parameters of a model exchange interaction using a least-squares approach. The thermodynamic properties can be subsequently evaluated using traditional Monte Carlo techniques for the model exchange interaction. Finally, a technique that uses the configurations to train a neural network to estimate the configuration energy is also discussed. This technique could potentially be useful in identifying the configurations most important in calculating the warped DOS. VC2011 American Institute of Physics. [doi:10.1063/1.3565413]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2003

Intelligent Launch and Range Operations Virtual Test Bed (ILRO-VTB)

Intelligent Launch and Range Operations Virtual Test Bed (ILRO-VTB) is a real-time web-based command and control, communication, and intelligent simulation environment of ground-vehicle, launch and range operation activities. ILRO-VTB consists of a variety of simulation models combined with commercial and indigenous software developments (NASA Ames). It creates a hybrid software/hardware environment suitable for testing various integrated control system components of launch and range. The dynamic interactions of the integrated simulated control systems are not well understood. Insight into such systems can only be achieved through simulation/emulation. For that reason, NASA has established a VTB where we can learn the actual control and dynamics of designs for future space programs, including testing and performance evaluation. The current implementation of the VTB simulates the operations of a sub-orbital vehicle of mission, control, ground-vehicle engineering, launch and range operations. The present development of the test bed simulates the operations of Space Shuttle Vehicle (SSV) at NASA Kennedy Space Center. The test bed supports a wide variety of shuttle missions with ancillary modeling capabilities like weather forecasting, lightning tracker, toxic gas dispersion model, debris dispersion model, telemetry, trajectory modeling, ground operations, payload models and etc. To achieve the simulations, all models are linked using Common Object Request Broker Architecture (CORBA). The test bed provides opportunities for government, universities, researchers and industries to do a real time of shuttle launch in cyber space.

Bardina, Jorge↗
DOE OSTI2024

Equilibrium Dynamics of Infinite-Range Quantum Spin Glasses in a Field

We determine the low-energy spectrum and Parisi replica-symmetry-breaking function for the spin-glass phase of the quantum Ising model with infinite-range random exchange interactions and transverse and longitudinal ( h ) fields. We show that, for all h , the spin-glass state has full replica symmetry breaking and the local spin spectrum is gapless, with a spectral density that vanishes linearly with frequency. These results are obtained using an action functional—argued to yield exact results at low frequencies—that expands in powers of a spin-glass order parameter, which is bilocal in time, and a matrix in replica space. We also present the exact solution of the infinite-range spherical quantum p -rotor model at nonzero h : here, the spin-glass state has one-step replica symmetry breaking and gaplessness only appears after imposition of an additional marginal stability condition. Possible connections to experiments on random arrays of trapped Rydberg atoms are noted. Published by the American Physical Society 2024

Tikhanovskaya, Maria↗
DOE OSTI2022

Quantum spin liquids bootstrapped from Ising criticality in Rydberg arrays

Arrays of Rydberg atoms constitute a highly tunable, strongly interacting venue for the pursuit of exotic states of matter. We develop a strategy for accessing a family of fractionalized phases known as quantum spin liquids in two-dimensional Rydberg arrays. We specifically use effective field theory methods to study arrays assembled from Rydberg chains tuned to an Ising phase transition that famously hosts emergent fermions propagating within each chain. This highly entangled starting point allows us to naturally access spin liquids familiar from Kitaev's honeycomb model—albeit from an entirely different framework. In particular, we argue that finite-range repulsive Rydberg interactions, which frustrate nearby symmetry-breaking orders, can enable coherent propagation of emergent fermions between the chains in which they were born. Delocalization of emergent fermions across the full two-dimensional Rydberg array yields a gapless Z 2 spin liquid with a single massless Dirac cone. Here, the Rydberg occupation numbers exhibit universal power-law correlations that provide a straightforward experimental diagnostic of this phase. We further show that explicitly breaking symmetries perturbs the gapless spin liquid into gapped, topologically ordered descendants: Breaking lattice symmetries generates toric-code topological order, whereas introducing Floquet-mediated chirality generates non-Abelian Ising topological order. In the toric-code phase, we analytically construct microscopic incarnations of non-Abelian defects, which can be created and transported by dynamically controlling the atom positions in the array. Our work suggests that appropriately tuned Rydberg arrays provide a cold-atoms counterpart of solid-state “Kitaev materials” and, more generally, it spotlights a different angle for pursuing experimental platforms for Abelian and non-Abelian fractionalization.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evaporation Submodel Development for Volume of Fluid (eVOF) Method Applicable to Spray-Wall Interaction Including Film Characteristics with Validation at High Pressure and Temperature Conditions

Internal combustion engines have seen a great evolution over the last several decades through application of high pressure direct injection, multiple injections, and other technologies to reduced fuel consumption, NOx, and PM. Although combustion systems with advanced injection strategies have been studied extensively, there exists a significant fundamental knowledge gap on the fuel-spray interactions with the piston surface and chamber walls. Advanced computational codes validated with experimental techniques have to be developed for accurate representation of the drop impingement, fuel film formation, and vaporization. Current engine CFD (Computational Fluid Dynamics) spray models utilize a Lagrangian framework for modeling which lacks critical considerations of the physics pertaining to these interactions and thus requiring extensive parameterization, tuning and validation. The team from Michigan Technological University, University of Massachusetts Dartmouth, and Argonne National Laboratory is composed of experts in sprays, combustion, engines and CFD with a wide spectrum of knowledge including specific expertise in the area under consideration. In the proposed work, a VOF (Volume of Fluid) modeling approach has been adopted for the spray-wall interaction, film formation and spreading, and vaporization. With the inclusion of a vaporization submodel, a more predictive and accurate simulation of the spray-film was performed without extensive need of parameterization and tuning. Extensive experimentation of the spray-wall interaction under the range of conditions matching the thermodynamic and surface temperatures that occur in diesel and gasoline engines were conducted to validate the SWI submodels and for development of the evaporation submodel, which has been implemented in the flow solver.

42 ENGINEERING↗
DOE OSTI2020

Ab initio electron-two-phonon scattering in GaAs from next-to-leading order perturbation theory

Electron-phonon (e–ph) interactions are usually treated in the lowest order of perturbation theory. Here we derive next-to-leading order e–ph interactions, and compute from first principles the associated electron-two-phonon (2ph) scattering rates. The derivations involve Matsubara sums of two-loop Feynman diagrams, and the numerical calculations are challenging as they involve Brillouin zone integrals over two crystal momenta and depend critically on the intermediate state lifetimes. Using Monte Carlo integration together with a self-consistent update of the intermediate state lifetimes, we compute and converge the 2ph scattering rates, and analyze their energy and temperature dependence. We apply our method to GaAs, a weakly polar semiconductor with dominant optical-mode long-range e–ph interactions. We find that the 2ph scattering rates are as large as nearly half the value of the one-phonon rates, and that including the 2ph processes is necessary to accurately predict the electron mobility in GaAs from first principles.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Reconstructing the dark sector interaction with LISA

We perform a forecast analysis of the ability of the LISA space-based interferometer to reconstruct the dark sector interaction using gravitational wave standard sirens at high redshift. We employ Gaussian process methods to reconstruct the distance-redshift relation in a model independent way. We adopt simulated catalogues of standard sirens given by merging massive black hole binaries visible by LISA, with an electromagnetic counterpart detectable by future telescopes. The catalogues are based on three different astrophysical scenarios for the evolution of massive black hole mergers based on the semi-analytic model of E. Barausse, Mon. Not. Roy. Astron. Soc. 423 (2012) 2533. We first use these standard siren datasets to assess the potential of LISA in reconstructing a possible interaction between vacuum dark energy and dark matter. Then we combine the LISA cosmological data with supernovae data simulated for the Dark Energy Survey. We consider two scenarios distinguished by the time duration of the LISA mission: 5 and 10 years. Using only LISA standard siren data, the dark sector interaction can be well reconstructed from redshift z ∼1 to z ∼3 (for a 5 years mission) and z ∼1 up to z ∼5 (for a 10 years mission), though the reconstruction is inefficient at lower redshift. When combined with the DES datasets, the interaction is well reconstructed in the whole redshift region from 0 z ∼ to z ∼3 (5 yr) and z ∼0 to z ∼5 (10 yr), respectively. Massive black hole binary standard sirens can thus be used to constrain the dark sector interaction at redshift ranges not reachable by usual supernovae datasets which probe only the z ∼< 1.5 range. Gravitational wave standard sirens will not only constitute a complementary and alternative way, with respect to familiar electromagnetic observations, to probe the cosmic expansion, but will also provide new tests to constrain possible deviations from the standard ΛCDM dynamics, especially at high redshift.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2010

The Contribution of Regge Cuts on {pi}{sup 0} Photoproduction from Complex Nuclei within 4 to 12 GeV

The contribution of Regge cuts on the incoherent {pi}{sup 0} photoproduction cross section from complex nuclei is investigated at forward angles within 4 to 12 GeV. The calculations are performed using two different parameterizations (with and without Regge cuts) for the elementary photoproduction cross section and the multi-collisional intranuclear cascade model (MCMC) to address the nuclear effects. The results indicate that the influence of the Regge cuts is negligible and the nuclear cross section (shape and magnitude) is strongly constrained by short range correlations and meson-nucleus Final State Interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

New constraints on ultraheavy dark matter from the LZ experiment

Searches for dark matter with liquid xenon time projection chamber experiments have traditionally focused on the region of the parameter space that is characteristic of weakly interacting massive particles, ranging from a few GeV / c 2 to a few TeV / c 2 . Models of dark matter with a mass much heavier than this are well motivated by early production mechanisms different from the standard thermal freeze-out, but they have generally been less explored experimentally. In this work, we present a reanalysis of the first science run of the LZ experiment, with an exposure of 0.9 tonne × yr , to search for ultraheavy particle dark matter. The signal topology consists of multiple energy deposits in the active region of the detector forming a straight line, from which the velocity of the incoming particle can be reconstructed on an event-by-event basis. Zero events with this topology were observed after applying the data selection calibrated on a simulated sample of signal-like events. New experimental constraints are derived, which rule out previously unexplored regions of the dark matter parameter space of spin-independent interactions beyond a mass of 10 17 GeV / c 2 . Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems

The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theory are described. The pEDA decomposes the bonding energy between two fragments (e.g., the adsorption energy of a molecule on a surface) into several well-defined terms: preparation, electrostatic, Pauli repulsion, and orbital relaxation energies. This is complemented by consideration of dispersion interactions via a pairwise scheme. One major extension toward a previous implementation [Philipsen and Baerends, J. Phys. Chem. B 110, 12470 (2006)] lies in the separate discussion of electrostatic and Pauli and the addition of a dispersion term. The pEDA presented here for an implementation based on atomic orbitals can handle restricted and unrestricted fragments for 0D to 3D systems considering periodic boundary conditions with and without the determination of fragment occupations. For the latter case, reciprocal space sampling is enabled. The new method gives comparable results to established schemes for molecular systems and shows good convergence with respect to the basis set (TZ2P), the integration accuracy, and k-space sampling. Four typical bonding scenarios for surface-adsorbate complexes were chosen to highlight the performance of the method representing insulating (CO on MgO(001)), metallic (H{sub 2} on M(001), M = Pd, Cu), and semiconducting (CO and C{sub 2}H{sub 2} on Si(001)) substrates. These examples cover diverse substrates as well as bonding scenarios ranging from weakly interacting to covalent (shared electron and donor acceptor) bonding. The results presented lend confidence that the pEDA will be a powerful tool for the analysis of surface-adsorbate bonding in the future, enabling the transfer of concepts like ionic and covalent bonding, donor-acceptor interaction, steric repulsion, and others to extended systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Solving The Long-Standing Problem Of Nuclear Reactions At The Highest Microscopic Level: Annual Continuation And Progress Report

The aim of this project is to develop a comprehensive framework that will lead to a fundamental description of both structural properties and reactions of light nuclei in terms of constituent protons and neutrons interacting through nucleon-nucleon (NN) and three-­nucleon (NNN) forces. This project will provide the research community with the theoretical and computational tools that will enable: (1) an accurate prediction for fusion reactions that power stars and Earth-­based fusion facilities; (2) an improved description of the spectroscopy of exotic nuclei, including light Borromean systems; and (3) a fundamental understanding of the three-­nucleon force in nuclear reactions and nuclei at the drip line. To achieve this goal, we build upon a promising technique emerged recently as a candidate to reach a fundamental description of low-­energy binary reactions between light ions, that is the ab initio no-­core shell model combined with the resonating-­group method (NCSM/RGM). This approach has demonstrated the capability to describe binary reactions below the three-­body breakup threshold based, up to now, on similarity-­renormalization-­group (SRG) 5 evolved NN only potentials. To advance the understanding of nuclear reactions at low energies and light exotic nuclei, this project aims at extending the NCSM/RGM approach to include the full range of NNN interactions as well as the treatment of three-­cluster bound and continuum states. Three-­nucleon interactions are unavoidable components of a fundamental nuclear Hamiltonian obtained in a low-­energy effective theory. In addition, three-­nucleon force terms are induced by the SRG procedure and have to be taken into account for such a transformation to be unitary in many-­body calculations. At the same time, the introduction of three-­body cluster states is key to achieve a microscopic description of Borromean systems as well as three-­body breakup reactions. This project will both enhance the fundamentality and enlarge the scope of our microscopic description of nuclear properties. A successful completion of this project will result in improved accuracy of the 3 He( 3 He,2p) 4 He and 3 He(α,γ) 7 Be reaction rates and consequently, in enhancement of the predictive capability of the standard solar model. In addition, we will study also the mirror reactions 3 H( 3 H,2n) 4 He and 3 H(α,γ) 7 Li (a key reaction for the production of 7 Li in the standard big-­bang nucleosynthesis), and the spectroscopy of the 6 He, 6 Be, and 11 Li nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Modeling Time Dispersion Due to Optical Path Length Differences in Scintillation Detectors

In this paper, we characterize the nature of the time dispersion in scintillation detectors caused by path length differences of the scintillation photons as they travel from their generation point to the photodetector. Using Monte Carlo simulation, we find that the initial portion of the distribution (which is the only portion that affects the timing resolution) can usually be modeled by an exponential decay. The peak amplitude and decay time depend both on the geometry of the crystal, the position within the crystal that the scintillation light originates from, and the surface finish. In a rectangular parallelpiped LSO crystal with 3 mm × 3 mm cross section and polished surfaces, the decay time ranges from 10 ps (for interactions 1 mm from the photodetector) up to 80 ps (for interactions 50 mm from the photodetector). Over that same range of distances, the peak amplitude ranges from 100% (defined as the peak amplitude for interactions 1 mm from the photodetector) down to 4% for interactions 50 mm from the photodetector. Higher values for the decay time are obtained for rough surfaces, but the exact value depends on the simulation details. Finally, estimates for the decay time and peak amplitude can be made for different cross section sizes via simple scaling arguments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Lithium-based surfaces controlling fusion plasma behavior at the plasma-material interface

The plasma-material interface and its impact on the performance of magnetically confined thermonuclear fusion plasmas are considered to be one of the key scientific gaps in the realization of nuclear fusion power. At this interface, high particle and heat flux from the fusion plasma can limit the material's lifetime and reliability and therefore hinder operation of the fusion device. Lithium-based surfaces are now being used in major magnetic confinement fusion devices and have observed profound effects on plasma performance including enhanced confinement, suppression and control of edge localized modes (ELM), lower hydrogen recycling and impurity suppression. The critical spatial scale length of deuterium and helium particle interactions in lithium ranges between 5-100 nm depending on the incident particle energies at the edge and magnetic configuration. Lithium-based surfaces also range from liquid state to solid lithium coatings on a variety of substrates (e.g., graphite, stainless steel, refractory metal W/Mo/etc., or porous metal structures). Temperature-dependent effects from lithium-based surfaces as plasma facing components (PFC) include magnetohydrodynamic (MHD) instability issues related to liquid lithium, surface impurity, and deuterium retention issues, and anomalous physical sputtering increase at temperatures above lithium's melting point. The paper discusses the viability of lithium-based surfaces in future burning-plasma environments such as those found in ITER and DEMO-like fusion reactor devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Critical Properties in the Ising Model on a Triangular Lattice with the Variable Interlayer Exchange Interaction

Phase transitions and critical and thermodynamic properties of the three-dimensional antiferromagnetic Ising model on a layered triangular lattice with variable interlayer exchange interaction are studied by the replica algorithm of the Monte Carlo method. The studies are carried out for the ratios of the intralayer J{sub 1} and interlayer J{sub 2} exchange interactions in the range of r = J{sub 2}/J{sub 1} = 0.01–1.0. It is established that a second-order phase transition is observed in the considered r interval. Using the finite size scaling theory, the static critical exponents of the heat capacity α, susceptibility γ, order parameter β, correlation radius ν, and Fisher index η are calculated. It is shown that the universality class of the critical behavior of this model is preserved in the interval of 0.05 < r ≤ 1.0. It was found that with a further decrease in the r value, a crossover from the three-dimensional critical behavior to the quasi-two-dimensional one is observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗