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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 487 records · Page 27

Effects of warm streaming electrons on electrostatic shock solutions

A plasma model consisting of warm downward streaming electrons, cool Boltzmann electrons, cold upward streaming ions, and hot Boltzmann ions is considered. It is shown that there is little difference between having a finite temperature in the electron beam and leaving the beam cold. This implies a greater utility for a cold electron beam model, and adds weight to the idea that the smaller amplitude electrostatic shocks seen in conjunction with ion beams are nonlinear ion acoustic modes.

Witt, Earl↗

Thermal-stress-free fasteners for joining orthotropic materials

Hot structures fabricated from orthotropic materials are an attractive design option for future high speed vehicles. Joining subassemblies of these materials with standard cylindrical fasteners can lead to loose joints or highly stressed joints due to thermal stress. A method has been developed to eliminate thermal stress and maintain a tight joint by shaping the fastener and mating hole. This method allows both materials (fastener and structure), with different coefficients of thermal expansion (CTE's) in each of the three principal material directions, to expand freely with temperature yet remain in contact. For the assumptions made in the analysis, the joint will remain snug, yet free of thermal stress at any temperature. Finite element analysis was used to verify several thermal-stress-free fasteners and to show that conical fasteners, which are thermal-stress-free for isotropic materials, can reduce thermal stresses for transversely isotropic materials compared to a cylindrical fastener. Equations for thermal-stress-free shapes are presented and typical fastener shapes are shown.

Blosser, Max L.↗

Nonradial oscillations of neutron stars

Linear, adiabatic, Newtonian, nonradial pulsation analyses have been performed for finite-temperature neutron star models with a fluid core, solid crust, and thin surface fluid 'ocean', including the effects of the neutron star crust. The pulsation equations are considered, including the spheroidal and toroidal modes. A local analysis is performed to provide information about the pulsation modes in the short-wavelength limit. Numerical calculations are made on the mode spectrum and systematic properties. Damping mechanisms are investigated, including gravitational radiation damping, neutrino emission damping, electromagnetic radiation from an oscillating stellar magnetic field, nonadiabatic effects, and internal friction and viscosity.

Mcdermott, P. N.↗

Magnetic properties of high-T(sub c) superconductors: Rigid levitation, flux pinning, thermal depinning, and fluctuation

The levitation of high-T(sub c) superconductors is quite conspicuous: Above magnets of low symmetry a disk of these ceramics floats motionless, without vibration or rotation; it has a continuous range of stable positions and orientations as if it were stuck in sand. Some specimens may even be suspended above or below the same magnet. This fascinating stability, inherent to no other type of levitation, is caused by the pinning of magnetic flux lines by inhomogeneities inside these extreme type-2 superconductors. The talk deals with pinning of magnetic flux in these materials, with flux flow, flux creep, thermally activated depinning, and the thermal fluctuation of the vortex positions in the flux line lattice (often called flux lattice melting). Also discussed are the fluctuations of the (nearly periodic) magnetic field inside these superconductors which are caused by random pinning sites and by the finite temperature. These fluctuations broaden the van-Hove singularities observed in the density of the magnetic field by nuclear magnetic resonance and by muon spin rotation.

Brandt, E. H.↗

Massive soliton stars

The structure of nontopological solutions of Einstein field equations as proposed by Friedberg, Lee, and Pang (1987) is examined. This analysis incorporates finite temperature effects and pair creation. Quarks are assumed to be the only species that exist in interior of soliton stars. The possibility of primordial creation of soliton stars in the incomplete decay of the degenerate vacuum in early universe is explored. Because of dominance of pair creation inside soliton stars, the luminosity of soliton stars is not determined by its radiative transfer characteristics, and the surface temperature of soliton stars can be the same as its interior temperature. It is possible that soliton stars are intense X-ray radiators at large distances. Soliton stars are nearly 100 percent efficient energy converters, converting the rest energy of baryons entering the interior into radiation. It is possible that a sizable number of baryons may also be trapped inside soliton stars during early epochs of the universe. In addition, if soliton stars exist they could assume the role played by massive black holes in galactic centers.

Chiu, Hong-Yee↗

Linear mixing rule in screened binary ionic mixtures

The validity of the linear mixing rule is examined for the following two cases (1) when the response of the electron gas is taken into account in the effective ionic interaction and (2) when finite-temperature effects are included in the dielectric response of the electrons, i.e., when the ions interact with both temperature- and density-dependent screened Coulomb potentials. It is found that the linear mixing rule remains valid when the electron response is taken into account in the interionic potential at any density, even though the departure from linearity can reach a few percent for the asymmetric mixtures in the region of weak degeneracy for the electron gas. A physical explanation of this behavior is proposed which is based on a simple additional length scale.

Chabrier, G.↗

The role of the molecular-metallic transition of hydrogen in the evolution of Jupiter, Saturn, and brown dwarfs

An equation of state for hydrogen which predicts a molecular-metallic phase transition at finite temperatures has become available recently. The effect of this phase transition on the cooling histories of these two giant planets and of substellar brown dwarfs is studied. The phase transition alters the present age of Jupiter and of Saturn by a few percent. Interestingly, the cooling of brown dwarfs is most strongly affected at the time when the interior adiabat crosses the critical point of the phase transition.

Saumon, Didier↗

Cu-Au Alloys Using Monte Carlo Simulations and the BFS Method for Alloys

Semi empirical methods have shown considerable promise in aiding in the calculation of many properties of materials. Materials used in engineering applications have defects that occur for various reasons including processing. In this work we present the first application of the BFS method for alloys to describe some aspects of microstructure due to processing for the Cu-Au system (Cu-Au, CuAu3, and Cu3Au). We use finite temperature Monte Carlo calculations, in order to show the influence of 'heat treatment' in the low-temperature phase of the alloy. Although relatively simple, it has enough features that could be used as a first test of the reliability of the technique. The main questions to be answered in this work relate to the existence of low temperature ordered structures for specific concentrations, for example, the ability to distinguish between rather similar phases for equiatomic alloys (CuAu I and CuAu II, the latter characterized by an antiphase boundary separating two identical phases).

Bozzolo, Guillermo↗

The Interference of the Dynamically Squeezed Vibrational Wave Packets

An electronic excitation of a molecule by a sequence of two femtosecond phase-locked laser pulses is considered. In this case the interference between the vibrational wave packets induced by each of the subpulses within a single molecule takes place. It is shown that due to the dynamical squeezing effect of a molecular vibrational state the interference of the vibrational wave packets allows one to measure the duration of a femtosecond laser pulse. This can be achieved experimentally by measuring the dependence of the integral fluorescence of the excited molecule on the delay time between the subpulses. The interference can lead to a sharp peak (or to a down-fall) in that dependence, the width of which is equal to the duration of the laser pulse. It is shown that finite temperature of the medium is favorable for such an experiment.

Vinogradov, An. V.↗

Astrophysical Applications of Quantum Corrections to the Equation of State of a Plasma

The quantum electrodynamic correction to the equation of state of a plasma at finite temperature is applied to the areas of solar physics and cosmology. A previously neglected, purely quantum term in the correction is found to change the equation of state in the solar core by -0.37%, which is roughly estimated to decrease the calculated high energy neutrino flux by about 2.2%. We also show that a previous calculation of the effect of this correction on big bang nucleosynthesis is incomplete, and we estimate the correction to the primordial helium abundance Y to be Delta A= 1.4 x 10(exp -4). A physical explanation for the correction is found in terms of corrections to the dispersion relation of the electron, positron, and photon.

Heckler, Andrew F.↗

Formation Energy of Disordered Alloys form the Energetics of Ordered Compounds

The cluster expansion technique is used in combination with first-principles calculations of the total energy of ordered compounds to study the energetics of the disordered phase for a number of alloy systems. The effect of short-range order, as seen in the energy differences between an alloy with the configuration corresponding to finite temperature and the perfectly random one is studied. The role of relaxation due to large size mismatch is discussed in terms of an effective cluster volume approximation. Very good agreement with measured energies of formation is obtained when short-range order and relaxation effects are taken into account.

Amador, Carlos↗

Design/Analysis of the JWST ISIM Bonded Joints for Survivability at Cryogenic Temperatures

A major design and analysis challenge for the JWST ISIM structure is thermal survivability of metal/composite bonded joints below the cryogenic temperature of 30K (-405 F). Current bonded joint concepts include internal invar plug fittings, external saddle titanium/invar fittings and composite gusset/clip joints all bonded to M55J/954-6 and T300/954-6 hybrid composite tubes (75mm square). Analytical experience and design work done on metal/composite bonded joints at temperatures below that of liquid nitrogen are limited and important analysis tools, material properties, and failure criteria for composites at cryogenic temperatures are sparse in the literature. Increasing this challenge is the difficulty in testing for these required tools and properties at cryogenic temperatures. To gain confidence in analyzing and designing the ISIM joints, a comprehensive joint development test program has been planned and is currently running. The test program is designed to produce required analytical tools and develop a composite failure criterion for bonded joint strengths at cryogenic temperatures. Finite element analysis is used to design simple test coupons that simulate anticipated stress states in the flight joints; subsequently the test results are used to correlate the analysis technique for the final design of the bonded joints. In this work, we present an overview of the analysis and test methodology, current results, and working joint designs based on developed techniques and properties.

Bartoszyk, Andrew↗

A New Concurrent Multiscale Methodology for Coupling Molecular Dynamics and Finite Element Analyses

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Yamakov, Vesselin↗

An Embedded Statistical Method for Coupling Molecular Dynamics and Finite Element Analyses

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Saether, E.↗

Hands-on with OWL: the Oak–Ridge Wang–Landau Monte Carlo software suite

The Oak–Ridge Wang–Landau (OWL) package is an open-source scientific software specialized for large-scale, Monte Carlo simulations for the study of materials properties at finite temperature. In this paper, we discuss the main features and capabilities of OWL, followed by detailed descriptions of building and running the code. The readers will be guided through the usage and functionality of the code with a few hands-on examples. This paper is based on a tutorial on OWL given at the 32nd Center for Simulational Physics Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics.

Li, Ying Wai↗

LeWRON: Agentic Analysis of Electroweak Phase Transitions

The electroweak phase transition (EWPT) is a central topic in particle physics and cosmology, connecting collider phenomenology, baryogenesis, and gravitational-wave observatories. Its analysis requires a technically demanding, convention-sensitive, and model-dependent pipeline, from constructing the finite-temperature effective potential to tracking thermal histories, computing bubble nucleation rates, and predicting gravitational-wave spectra. We present LeWRON (Learning ElectroWeak phase tRansitiON), an agentic framework that orchestrates this pipeline starting from an input Lagrangian. LeWRON combines audited toolbox construction with an Explorer module that uses the generated model-specific code for further analysis, including scans and plots. Intermediate analytic outputs are checked by auditor agents and stored as structured artifacts, enabling reproducible human inspection and downstream use through both a command-line interface and a public Python API. The framework supports a reproduction mode, which infers conventions from the literature and reproduces published results, and a discovery mode, which guides users through structured checkpoints for new models. We demonstrate LeWRON across representative beyond-the-Standard-Model scenarios and release the code on GitHub.

Wang, Isaac R. [Fermilab] (ORCID:000000030789218X)↗

Quantum Joule expansion of one-dimensional systems

Here, we investigate the Joule expansion of nonintegrable quantum systems that contain bosons or spinless fermions in one-dimensional lattices. A barrier initially confines the particles to be in half of the system in a thermal state described by the canonical ensemble and is removed at time t = 0. We investigate the properties of the time-evolved density matrix, the diagonal ensemble density matrix, and the corresponding canonical ensemble density matrix with an effective temperature determined by the total energy conservation using exact diagonalization. The weights for the diagonal ensemble and the canonical ensemble match well for high initial temperatures that correspond to negative effective final temperatures after the expansion. At long times after the barrier is removed, the time-evolved Rényi entropy of subsystems bigger than half can equilibrate to the thermal entropy with exponentially small fluctuations. The time-evolved reduced density matrix at long times can be approximated by a thermal density matrix for small subsystems. Few-body observables, like the momentum distribution function, can be approximated by a thermal expectation of the canonical ensemble with strongly suppressed fluctuations. The negative effective temperatures for finite systems go to non-negative temperatures in the thermodynamic limit for bosons, but there is a true thermodynamic effect for fermions, which is confirmed by finite-temperature density matrix renormalization group calculations. We propose the Joule expansion as a way to dynamically create negative temperature states for fermion systems with repulsive interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗