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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Synthesis of Single Crystal Li 2 NpO 4 and Li 4 NpO 5 from Aqueous Lithium Hydroxide Solutions under Mild Hydrothermal Conditions

The ternary oxides, Li 2 NpO 4 and Li 4 NpO 5 , were synthesized under mild hydrothermal conditions using concentrated LiOH solutions containing NpO 2 (NO 3 )( 2 ). The reactions resulted in the formation of single crystals of both compounds, enabling the determination of their single crystal structures for the first time. Further, exploration of the synthetic phase space demonstrates that the resulting neptunate phases are dependent on the concentration of LiOH, transitioning from Li 2 NpO 4 , containing a typical octahedral neptunyl geometry with two shorter Np≡O bonds, at lower LiOH concentrations to Li 4 NpO 5 with two long and four short Np-O bonds under saturated solution conditions. Reactions exploring the same synthetic conditions are also reported for uranyl(VI) for comparison. Raman spectra of the compounds were collected and analyzed to evaluate the Np-O bonding in these compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Topologically Protected Long Edge Coherence Times in Symmetry-Broken Phases

We argue that symmetry-broken phases proximate in phase space to symmetry-protected topological phases can exhibit dynamical signatures of topological physics. This dynamical, symmetry-protected “topological” regime is characterized by anomalously long edge coherence times due to the topological decoration of quasiparticle excitations, even if the underlying zero-temperature ground state is in a nontopological, symmetry-broken state. The dramatic enhancement of coherence can even persist at infinite temperature due to prethermalization. Lastly, we find exponentially long edge coherence times that are stable to symmetry-preserving perturbations and not the result of integrability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Novel phase diagram behavior and materials design in heterostructural semiconductor alloys

Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the critical composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Furthermore, thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region.

14 SOLAR ENERGY↗
DOE OSTI2017

BD-CATS-IO

Modern cosmology and plasma physics codes are now capable of simulating trillions of particles on petascale systems. Each timestep output from such simulations is on the order of 10s of TBs. Summarizing and visualizing raw particle data is challenging, and scientists often focus on density structures, whether in the real 3D space, or a high-dimensional phase space. In this work, code was developed for reading 10s of terabytes of data and for writing the resultant cluster IDs for each particle. This code will be part of a highly scalable version of the clustering algorithm DBSCAN, and apply it to the largest datasets produced by state-of-the-art codes. The overall function of BD-CATS (Big Data Clustering at Trillion Particles Scale) is to perform end-to-end analysis: loading the data, dynamic partitioning, computing kdtrees, performing clustering analysis, and storing the results. BD-CATS-IO provides the functionality of loading the data and storing the results.

Byna, Surendra↗
NASA NTRS1993

The telegraph equation in charged particle transport

We present a new derivation of the telegraph equation which modifies its coefficients. First, an infinite order partial differential equation is obtained for the velocity space solid angle-averaged phase-space distribution of particles which underwent at least a few collisions. It is shown that, in the lowest order asymptotic expansion, this equation simplifies to the well-known diffusion equation. The second-order asymptotic expansion for isotropic small-angle scattering results in a modified telegraph equation with a signal propagation speed of v(5/11) exp 1/2 instead of the usual v/3 exp 1/2. Our derivation of a modified telegraph equation follows from an expansion of the Boltzmann equation in the relevant smallness parameters and not from a truncation of an eigenfunction expansion. This equation is consistent with causality. It is shown that, under steady state conditions in a convecting plasma, the telegraph equation may be regarded as a diffusion equation with a modified transport coefficient, which describes a combination of diffusion and cosmic-ray inertia.

Gombosi, T. I.↗
DOE OSTI2015

A WENO-solver combined with adaptive momentum discretization for the Wigner transport equation and its application to resonant tunneling diodes

We present a novel numerical scheme for the deterministic solution of the Wigner transport equation, especially suited to deal with situations in which strong quantum effects are present. The unique feature of the algorithm is the expansion of the Wigner function in local basis functions, similar to finite element or finite volume methods. This procedure yields a discretization of the pseudo-differential operator that conserves the particle density on arbitrarily chosen grids. The high flexibility in refining the grid spacing together with the weighted essentially non-oscillatory (WENO) scheme for the advection term allows for an accurate and well-resolved simulation of the phase space dynamics. A resonant tunneling diode is considered as test case and a detailed convergence study is given by comparing the results to a non-equilibrium Green's functions calculation. The impact of the considered domain size and of the grid spacing is analyzed. The obtained convergence of the results towards a quasi-exact agreement of the steady state Wigner and Green's functions computations demonstrates the accuracy of the scheme, as well as the high flexibility to adjust to different physical situations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effect of an Eu{sup 3+} impurity on the antiferrodistortion and ferroelectric instabilities in an EuTiO{sub 3} bulk crystal and thin films

The existence of an antiferrodistortion transition in EuTiO{sub 3} is disputable, and this question needs to be answered. One of the possible causes is the presence of an Eu{sup 3+} impurity in a sample. A nonempirical polarizable ion model is used to study the effect of a trivalent Eu{sup 3+} ion impurity on the antiferrodistortion and ferroelectric instabilities of an EuTiO{sub 3} crystal in the bulk and the thin-film states. Lattice dynamics calculation shows that a bulk impurity-free EuTiO{sub 3} crystal has no unstable modes throughout the entire phase space volume. The addition of an Eu{sup 3+} impurity leads to a significant softening of the rotational mode, the distortion in which makes tetragonal phase I4/mcm (which is experimentally observed) energetically favorable. In going from the bulk crystal to the thin film, the vibration spectrum of the impurity-free film has unstable antiferrodistortion and rotational modes. The addition of an Eu{sup 3+} impurity enhances the antiferrodistortion instability, which fully or partly suppresses ferroelectricity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The s-Channel Single Top Quark Production as a Constraint for W ' Boson Contribution

An analysis is performed to constrain the W' boson production using the measurement of the s‑channel single top quark production cross section. Both phenomenological and statistical approaches are examined and results are presented. In the best case, W' bosons that interact only to the right-handed fermions are excluded below 1390 GeV. To our knowledge, it is the first time that the measured cross section of the s-channel single top quark production from the colliders is used to rule out a part of the phase space of the W' boson.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Classification of constraints and degrees of freedom for quadratic discrete actions

We provide a comprehensive classification of constraints and degrees of freedom for variational discrete systems governed by quadratic actions. This classification is based on the different types of null vectors of the Lagrangian two-form and employs the canonical formalism developed in Dittrich and Höhn [“Constraint analysis for variational discrete systems,” J. Math. Phys. 54, 093505 (2013); e-print http://arxiv.org/abs/arXiv:1303.4294 [math-ph]] and Höhn [“Quantization of systems with temporally varying discretization I: Evolving Hilbert spaces,” J. Math. Phys. 55, 083508 (2014); e-print http://arxiv.org/abs/arXiv:1401.6062 [gr-qc]]. The analysis is carried out in both the classical and quantum theory and applies to systems with both temporally varying or constant discretization. In particular, it is shown explicitly how changes in the discretization, e.g., resulting from canonical coarse graining or refining operations or an evolving background geometry, change the dynamical content of the system. It is demonstrated how, on a temporally varying discretization, constraints, Dirac observables, symmetries, reduced phase spaces, and physical Hilbert spaces become spacetime region dependent. These results are relevant for free field theory on an evolving lattice and linearized discrete gravity models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Anharmonic Eigenvectors and Acoustic Phonon Disappearance in Quantum Paraelectric SrTiO 3

Pronounced anomalies in the SrTiO 3 dynamical structure factor, S(Q,E), including the disappearance of acoustic phonon branches at low temperatures, were uncovered with inelastic neutron scattering (INS) and simulations. The striking effect reflects anharmonic couplings between acoustic and optic phonons and the incipient ferroelectric instability near the quantum critical point. It is rationalized using a first-principles renormalized anharmonic phonon approach, pointing to nonlinear Ti-O hybridization causing unusual changes in real-space phonon eigenvectors, frequencies, group velocities, and scattering phase space. Lastly, our method is general and establishes how T dependences beyond the harmonic regime, assessed by INS mapping of large reciprocal-space volumes, provide real-space insights into anharmonic atomic dynamics near phase transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The Cosmic Shoreline: The Evidence that Escape Determines which Planets Have Atmospheres, and what this May Mean for Proxima Centauri B

The planets of the solar system are neatly divided between those with atmospheres and those without when arranged by insolation (I) and escape velocity (v{sub esc}). The dividing line goes at I∝v{sub esc}{sup 4}. Exoplanets with reported masses and radii are shown to crowd against the extrapolation of the solar system trend, making a metaphorical cosmic shoreline that unites all the planets. The I∝v{sub esc}{sup 4} relation may implicate thermal escape. We therefore address the general behavior of hydrodynamic thermal escape models ranging from Pluto to highly irradiated extrasolar giant planets (EGPs). Energy-limited escape is harder to test because copious XUV radiation is mostly a feature of young stars, and hence requires extrapolating to historic XUV fluences (I{sub xuv}) using proxies and power laws. An energy-limited shoreline should scale as I{sub xuv}∝v{sub esc}{sup 3}√ρ, which differs distinctly from the apparent I{sub xuv}∝v{sub esc}{sup 4} relation. Energy-limited escape does provide good quantitative agreement to the highly irradiated EGPs. Diffusion-limited escape implies that no planet can lose more than 1% of its mass as H{sub 2}. Impact erosion, to the extent that impact velocities v{sub imp} can be estimated for exoplanets, fits a v{sub imp}≈4--5 v{sub esc} shoreline. The proportionality constant is consistent with what the collision of comet Shoemaker–Levy 9 showed us we should expect of modest impacts in deep atmospheres. With respect to the shoreline, Proxima Centauri b is on the metaphorical beach. Known hazards include its rapid energetic accretion, high impact velocities, its early life on the wrong side of the runaway greenhouse, and Proxima Centauri’s XUV radiation. In its favor is a vast phase space of unknown unknowns.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Velocity space evolution of a minority energetic electron population undergoing the anomalous Doppler instability

The kinetic evolution in velocity space of a minority suprathermal electron population that is undergoing the anomalous Doppler instability (ADI) is investigated using the results from fully nonlinear numerical simulations that self-consistently evolve particles and fields in a plasma. Electron trajectories in phase space during different stages of the ADI are captured, and are analysed in relation to the characteristics of the excited electric fields and of the overall distribution of particles. For some electrons, trapping and mirroring effects are observed during the saturation phase. A relationship between the second order moments of the perpendicular electron distribution function and time is established, and is used to investigate the range of applicability of analytical approximations drawn from classical theory, that involve a quasilinear wave-driven diffusion operator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Diffusive cosmic-ray acceleration at relativistic shock waves with magnetostatic turbulence

The analytical theory of diffusive cosmic-ray acceleration at parallel stationary shock waves with magnetostatic turbulence is generalized to arbitrary shock speeds V{sub s}=β{sub 1}c, including, in particular, relativistic speeds. This is achieved by applying the diffusion approximation to the relevant Fokker–Planck particle transport equation formulated in the mixed comoving coordinate system. In this coordinate system, the particle's momentum coordinates p and μ=p{sub ∥}/p are taken in the rest frame of the streaming plasma, whereas the time and space coordinates are taken in the observer's system. For magnetostatic slab turbulence, the diffusion–convection transport equation for the isotropic (in the rest frame of the streaming plasma) part of the particle's phase space density is derived. For a step-wise shock velocity profile, the steady-state diffusion–convection transport equation is solved. For a symmetric pitch-angle scattering Fokker–Planck coefficient, D{sub μμ}(−μ)=D{sub μμ}(μ), the steady-state solution is independent of the microphysical scattering details. For nonrelativistic mono-momentum particle injection at the shock, the differential number density of accelerated particles is a Lorentzian-type distribution function, which at large momenta approaches a power-law distribution function N(p⩾p{sub c})∝p{sup −ξ} with the spectral index ξ(β{sub 1})=1+[3/(Γ{sub 1}√(r{sup 2}−β{sub 1}{sup 2})−1)(1+3β{sub 1}{sup 2})]. For nonrelativistic (β{sub 1}≪1) shock speeds, this spectral index agrees with the known result ξ(β{sub 1}≪1)≃(r+2)/(r−1), whereas for ultrarelativistic (Γ{sub 1}≫1) shock speeds the spectral index value is close to unity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Power-dependent spin amplification in (In, Ga)As/GaAs quantum well via Pauli blocking by tunnel-coupled quantum dot ensembles

Power-dependent time-resolved optical spin orientation measurements were performed on In{sub 0.1}Ga{sub 0.9}As quantum well (QW) and In{sub 0.5}Ga{sub 0.5}As quantum dot (QD) tunnel-coupled structures with an 8-nm-thick GaAs barrier. A fast transient increase of electron spin polarization was observed at the QW ground state after circular-polarized pulse excitation. The temporal maximum of polarization increased with increasing pumping fluence owing to enhanced spin blocking in the QDs, yielding a highest amplification of 174% with respect to the initial spin polarization. Further elevation of the laser power gradually quenched the polarization dynamics, which was induced by saturated spin filling of both the QDs and the QW phase spaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

The Hamiltonian property of the flow of singular trajectories

Pontryagin's maximum principle reduces optimal control problems to the investigation of Hamiltonian systems of ordinary differential equations with discontinuous right-hand side. An optimal synthesis is the totality of solutions to this system with a fixed terminal (or initial) condition, which fill a region in the phase space one-to-one. In the construction of optimal synthesis, singular trajectories that go along the discontinuity surface N of the right-hand side of the Hamiltonian system of ordinary differential equations, are crucial. The aim of the paper is to prove that the system of singular trajectories makes up a Hamiltonian flow on a submanifold of N. In particular, it is proved that the flow of singular trajectories in the problem of control of the magnetized Lagrange top in a variable magnetic field is completely Liouville integrable and can be embedded in the flow of a smooth superintegrable Hamiltonian system in the ambient space. Bibliography: 17 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

A Schamel equation for ion acoustic waves in superthermal plasmas

An investigation of the propagation of ion acoustic waves in nonthermal plasmas in the presence of trapped electrons has been undertaken. This has been motivated by space and laboratory plasma observations of plasmas containing energetic particles, resulting in long-tailed distributions, in combination with trapped particles, whereby some of the plasma particles are confined to a finite region of phase space. An unmagnetized collisionless electron-ion plasma is considered, featuring a non-Maxwellian-trapped electron distribution, which is modelled by a kappa distribution function combined with a Schamel distribution. The effect of particle trapping has been considered, resulting in an expression for the electron density. Reductive perturbation theory has been used to construct a KdV-like Schamel equation, and examine its behaviour. The relevant configurational parameters in our study include the superthermality index κ and the characteristic trapping parameter β. A pulse-shaped family of solutions is proposed, also depending on the weak soliton speed increment u{sub 0}. The main modification due to an increase in particle trapping is an increase in the amplitude of solitary waves, yet leaving their spatial width practically unaffected. With enhanced superthermality, there is a decrease in both amplitude and width of solitary waves, for any given values of the trapping parameter and of the incremental soliton speed. Only positive polarity excitations were observed in our parametric investigation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗