Search NASA⌕ Search

SEARCH · Search NASA

Results for “conditional”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Hydrodynamic conditions in laser irradiated buried layer experiments

The calculation of open shell ionization level and radiative properties of materials in Non-Local Thermal Equilibrium (NLTE) is currently still a major challenge for any atomic model. The predictions of various NLTE atomic codes at these conditions still differ significantly. In recent years, a new buried layer platform was developed at the Lawrence Livermore National Laboratory and the Laboratory for Laser Energetics. This platform is used to measure ionization distribution and emission of open L-shell, mid-Z ions and open M-shell, high-Z ions at NLTE conditions that are relevant in many laser plasma applications. These experiments offer a unique chance for benchmarking the atomic models. In order to perform these experiments, a uniform well characterized plasma source is required. In this work, we present one-dimensional (1D) and two-dimensional simulations of the experimental platform. These simulations were used for both the design and the analysis of the experiments. The simulations demonstrate the different phases of hydrodynamic evolution of the target and identify the time windows in which uniform conditions can be achieved. A 1D expansion of the target was found to be adequate to describe the target's evolution for most of the experiment duration. The fast 1D simulations were compared with recent experimental results from the Omega laser facility. The sensitivity of the results to several modeling parameters such as the electron flux limiter and laser resonant absorption is reported.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Necessary and sufficient conditions for quasisymmetry

A necessary and sufficient set of conditions for a quasisymmetric magnetic field in the form of constraint equations is derived from first principles. Without any assumption regarding the magnetohydrodynamic (MHD) equilibrium of the plasma, conditions for quasisymmetry are constructed starting from the single-particle Lagrangian to the leading order. The conditions presented in the paper are less restrictive than the set recently obtained by Burby et al. [“Some mathematics for quasi-symmetry,” arXiv:1912.06468 (2019)], and could facilitate ongoing efforts toward investigating the existence of global quasisymmetric MHD equilibria. Finally, it is also shown that quasisymmetry implies the existence of flux surfaces, regardless of whether the field corresponds to an MHD equilibrium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Time evolution of ML-MCTDH wavefunctions. I. Gauge conditions, basis functions, and singularities

We derive a family of equations-of-motion (EOMs) for evolving multi-layer multiconfiguration time-dependent Hartree (ML-MCTDH) wavefunctions that, unlike the standard ML-MCTDH EOMs, never require the evaluation of the inverse of singular matrices. All members of this family of EOMs make use of alternative static gauge conditions than those used for standard ML-MCTDH. These alternative conditions result in an expansion of the wavefunction in terms of a set of potentially arbitrary orthonormal functions, rather than in terms of a set of non-orthonormal and potentially linearly dependent functions, as is the case for standard ML-MCTDH. We show that the EOMs used in the projector splitting integrator (PSI) and the invariant EOM approaches are two special cases of this family obtained from different choices for the dynamic gauge condition, with the invariant EOMs making use of a choice that introduces potentially unbounded operators into the EOMs. As a consequence, all arguments for the existence of parallelizable integration schemes for the invariant EOMs can also be applied to the PSI EOMs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The critical role of synthesis conditions on small polaron carrier concentrations in hematite—A first-principles study

Achieving highly efficient energy conversion with transition metal oxides necessitates overcoming conductivity limitations due to the formation of small polarons. Detailed understanding of the interplay among intrinsic defects, dopants, and electron polarons can help devise strategies for achieving higher carrier concentrations, therefore improving carrier conductivity. This work employs first-principles calculations to reliably predict electron polaron concentrations in a prominent polaronic oxide, hematite (Fe 2 O 3 ), by resolving interactions between charged defects and electron polarons and keeping charge neutrality condition among all charged species. This work addresses that both V O and Fe i can be primary donors in undoped hematite depending on the synthesis conditions, such as synthesis temperature and oxygen partial pressure, despite the fact that V O owns an extremely high ionization energy compared to k B T. Furthermore, from calculations of a plethora of n-type dopants (group IV and V elements), we find that Ti, Ge, Sb, and Nb are able to raise electron polaron concentrations in hematite significantly without considering dopant clustering. However, the magnitude of electron polaron concentration increase would be smaller if the dopant has a high tendency of clustering, such as Ti. Here we reveal the critical role of synthesis conditions on tuning electron polaron concentrations of both undoped and doped hematite. Our theoretical analysis provides important insights and general design principles for engineering more conductive polaronic oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Loss cone effects and monotonic sheath conditions of a partially magnetized plasma sheath

In this Letter, we propose the conditions for monotonic plasma sheaths adjacent to a floating wall in the presence of an applied, oblique magnetic field. The electron velocity distribution function (VDF) at the sheath edge obtained from a kinetic model exhibits a loss cone shaped truncation. Using an approximation of the truncated VDF, we derive an analytical framework of the sheath edge condition (i.e., Bohm condition), namely, the relation of ion injection velocity and sheath potential drop as a function of the magnetic field angle. The results show that the sheath edge velocity and total potential drop decrease for a steady-state sheath, which eventually collapses when the magnetic field lines become parallel to the wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Accuracy, transferability, and computational efficiency of interatomic potentials for simulations of carbon under extreme conditions

Large-scale atomistic molecular dynamics (MD) simulations provide an exceptional opportunity to advance the fundamental understanding of carbon under extreme conditions of high pressures and temperatures. However, the fidelity of these simulations depends heavily on the accuracy of classical interatomic potentials governing the dynamics of many-atom systems. Here, this study critically assesses several popular empirical potentials for carbon, as well as machine learning interatomic potentials (MLIPs), in their ability to simulate a range of physical properties at high pressures and temperatures, including the diamond equation of state, its melting line, shock Hugoniot, uniaxial compressions, and the structure of liquid carbon. Empirical potentials fail to accurately predict the behavior of carbon under high pressure–temperature conditions. In contrast, MLIPs demonstrate quantum accuracy, with Spectral Neighbor Analysis Potential (SNAP) and atomic cluster expansion (ACE) being the most accurate in reproducing the density functional theory results. ACE displays remarkable transferability despite not being specifically trained for extreme conditions. Furthermore, ACE and SNAP exhibit superior computational performance on graphics processing unit-based systems in billion atom MD simulations, with SNAP emerging as the fastest. In addition to offering practical guidance in selecting an interatomic potential with a fine balance of accuracy, transferability, and computational efficiency, this work also highlights transformative opportunities for groundbreaking scientific discoveries facilitated by quantum-accurate MD simulations with MLIPs on emerging exascale supercomputers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Characterizing laser-heated polymer foams with simultaneous x-ray fluorescence spectroscopy and Thomson scattering at the Matter in Extreme Conditions Endstation at LCLS

Understanding the behavior of polymer foams at high energy density conditions is crucial to advance inertial fusion energy research. Here, we present a new experimental platform designed to measure the thermodynamic state of these materials at megabar pressures. At the Matter in Extreme Conditions Endstation of the Linac Coherent Light Source, we heat samples using an optical, high-intensity, femtosecond laser and dynamically probe them with ultra-short, coherent x-ray pulses of high peak brightness. We perform x-ray Thomson scattering measurements in forward and backward scattering geometries to capture both collective and non-collective electron behavior in the sample. Simultaneously, x-ray fluorescence spectroscopy is used to measure the emission from a mid-Z dopant, providing complementary information on the plasma conditions. By combining these techniques, we obtain temporally resolved temperature measurements of the transient warm dense matter states. Our initial experiments designed to benchmark the platform with carbon samples yielded data resolving the ultrafast response to laser heating with sub-picosecond resolution, measuring plasma temperatures exceeding 50 eV. These findings lay the foundation for precision studies of the dynamic evolution of laser-heated polymer foams.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Experimental study of laser-oxygen cutting of low-carbon steel using fibre and CO{sub 2} lasers under conditions of minimal roughness

The results of an experimental study of laser-oxygen cutting of low-carbon steel using fibre and CO{sub 2} lasers are generalised. The dependence of roughness of the cut surface on the cutting parameters is investigated, and the conditions under which the surface roughness is minimal are formulated. It is shown that for both types of lasers these conditions can be expressed in the same way in terms of the dimensionless variables – the Péclet number Pe and the output power Q of laser radiation per unit thickness of the cut sheet – and take the form of the similarity laws: Pe = const, Q = const. The optimal values of Pe and Q are found. We have derived empirical expressions that relate the laser power and cutting speed with the thickness of the cut sheet under the condition of minimal roughness in the case of cutting by means of radiation from fibre and CO{sub 2} lasers. (laser technologies)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Corrosion rates measured under potentiostatic conditions to represent performance of a cermet nuclear waste form

Electrochemical tests were conducted to assess the corrosion performance of a developmental multiphase cermet nuclear waste form in different conditions. Corrosion currents were monitored as the surface equilibrated in an acidic brine solution during potentiostatic tests at different imposed potentials. Electrochemical impedance spectroscopy was used to quantify differences in the electrical properties of surfaces stabilised at different potentials. The passivating oxides that will stabilise the surface under disposal conditions are formed and maintained during testing. The measured corrosion currents were two orders of magnitude lower for passivated surfaces than for polished surfaces over a wide range of redox conditions. The electrochemical results were correlated with microscopic analyses of the corroded surfaces and physical models of the surface passivation and degradation processes are proposed. The measured corrosion rates are suitable for the long-term performance modeling of cermet nuclear waste forms.

Gattu, V. K.↗
DOE OSTI2018

Representation and evolution of urban weather boundary conditions in downtown Chicago

Our study presents a novel computing technique for data exchange and coupling between a high-resolution weather simulation model and a building energy model, with a goal of evaluating the impact of urban weather boundary conditions on energy performance of urban buildings. The Weather Research and Forecasting (WRF) model is initialized with the operational High-Resolution Rapid Refresh (HRRR) dataset to provide hourly weather conditions over the Chicago region. We utilize the building footprint, land use, and building stock datasets to generate building energy models using EnergyPlus. We mapped the building exterior surfaces to local air nodes to import simulated microclimate data and to export buildings' heat emissions to their local environment. Preliminary experiments for a test area in Chicago show that predicted building cooling energy use differs by about 4.7% for the selected date when compared with simulations using TMY weather data and without considering the urban microclimate boundary conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2011

CARBON-RICH GIANT PLANETS: ATMOSPHERIC CHEMISTRY, THERMAL INVERSIONS, SPECTRA, AND FORMATION CONDITIONS

The recent inference of a carbon-rich atmosphere, with C/O {>=} 1, in the hot Jupiter WASP-12b motivates the exotic new class of carbon-rich planets (CRPs). We report a detailed study of the atmospheric chemistry and spectroscopic signatures of carbon-rich giant (CRG) planets, the possibility of thermal inversions in their atmospheres, the compositions of icy planetesimals required for their formation via core accretion, and the apportionment of ices, rock, and volatiles in their envelopes. Our results show that CRG atmospheres probe a unique region in composition space, especially at high temperature (T). For atmospheres with C/O {>=} 1, and T {approx}> 1400 K in the observable atmosphere, most of the oxygen is bound up in CO, while H{sub 2}O is depleted and CH{sub 4} is enhanced by up to two or three orders of magnitude each, compared to equilibrium compositions with solar abundances (C/O = 0.54). These differences in the spectroscopically dominant species for the different C/O ratios cause equally distinct observable signatures in the spectra. As such, highly irradiated transiting giant exoplanets form ideal candidates to estimate atmospheric C/O ratios and to search for CRPs. We also find that the C/O ratio strongly affects the abundances of TiO and VO, which have been suggested to cause thermal inversions in highly irradiated hot Jupiter atmospheres. A C/O = 1 yields TiO and VO abundances of {approx}100 times lower than those obtained with equilibrium chemistry assuming solar abundances, at P {approx} 1 bar. Such a depletion is adequate to rule out thermal inversions due to TiO/VO even in the most highly irradiated hot Jupiters, such as WASP-12b. We estimate the compositions of the protoplanetary disk, the planetesimals, and the envelope of WASP-12b, and the mass of ices dissolved in the envelope, based on the observed atmospheric abundances. Adopting stellar abundances (C/O = 0.44) for the primordial disk composition and low-temperature formation conditions (T {approx}< 30 K) for WASP-12b lead to a C/O ratio of 0.27 in accreted planetesimals, and, consequently, in the planet's envelope. In contrast, a C/O ratio of 1 in the envelope of WASP-12b requires a substantial depletion of oxygen in the disk, i.e., by a factor of {approx}0.41 for the same formation conditions. This scenario also satisfies the constraints on the C/H and O/H ratios reported for WASP-12b. If, alternatively, hotter conditions prevailed in a stellar composition disk such that only H{sub 2}O is condensed, the remaining gas can potentially have a C/O {approx} 1. However, a high C/O in WASP-12b caused predominantly by gas accretion would preclude superstellar C/H ratios which also fit the data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

STOCHASTIC ACCELERATION OF SUPRATHERMAL PARTICLES UNDER PRESSURE BALANCE CONDITIONS

The acceleration of suprathermal charged particles in the heliosphere under pressure balance conditions including for the first time the radial spatial particle diffusion and convection in the solar wind is investigated. The physical conditions are derived for which the stationary phase space distribution of suprathermal particles approaches the power-law distribution f{proportional_to}p {sup -5}, which is often seen in spacecraft observations. For separable source distributions in momentum and position we analytically solve the stationary particle transport equation for a radially constant solar wind speed V {sub 0} and a momentum-independent radial spatial diffusion coefficient. The resulting stationary solution at any position within the finite heliosphere is the superposition of an infinite sum of power laws in momentum below and above the (assumed mono-momentum) injection momentum p{sub I} . The smallest spatial eigenvalue determines the flattest power law, to which the full stationary solution approaches at large and small enough momenta. Only for the case of a reflecting inner and a free-escape outer spatial boundary, does one small eigenvalue exist, yielding the power-law distribution f{proportional_to}p {sup -5} at sufficiently large momentum values. The other three spatial boundary conditions imply steeper momentum spectra. Momentum spectra and radial profiles of suprathermal particles are calculated by adopting a uniform outer ring spatial source distribution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Infrared spectra of silica polymorphs and the conditions of their formation

The existence of silica within several debris disks has been suggested. Data on both the spectroscopy and annealing conditions of the various polymorphs of silica need to be investigated, as these data are lacking and incomplete in the literature. We investigate the annealing conditions of silica and prepare various types of silica, including α-cristobalite, α-quartz, coesite, stishovite, and fused quartz, which are natural, synthetic, or commercial samples. This paper presents a new study of both the spectroscopy of relevant silica polymorphs and the conditions under which they form. We compare the results to previous studies and find that there are discrepancies. The interesting result of features similar to those of forsterite should be highlighted, where α-cristobalite and coesite showed similar peaks at 16, 33, and 69 μm as forsterite. The 69 μm band for α-cristobalite is especially very broad and strong and shifts largely to a shorter wavelengths under cooling to low temperatures. The band for coesite, however, is very sharp and shifts only a small amount to longer wavelengths under cooling to low temperatures. We discuss the possibility of silica detection around debris disks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Extragalactic interstellar extinction curves: Indicators of local physical conditions

Normalized interstellar extinction curves (ISECs) in the Milky Way and other galaxies show a variety of shapes. This variety is attributed to differences along different sight lines in the abundances of the several dust and gas components contributing to extinction. In this paper we propose that these abundance differences are not arbitrary but are a specific consequence of the physical conditions on those sight lines. If this proposal is correct, then it implies that ISECs contain information about physical conditions in the regions generating extinction. This may be particularly important for high redshift galaxies where information on the conditions may be difficult to obtain. We adopt a model of extinction carriers in which the solid and gaseous components are not immutable but respond time-dependently to the local physics. We validate this model by fitting extinction curves measured on sight lines in the Magellanic Clouds and obtained for the gamma-ray burst afterglow GRB 080605. We present results for this model as follows: (1) we show that computed ISECs are controlled by a small number of physical parameters, (2) we demonstrate the sensitivity of computed ISECs to these parameters, (3) we compute as examples ISECs for particular galaxy types, and (4) we note that different galaxy types have different shapes of ISEC.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A15 Nb 3 Si: a ‘high’ T c superconductor synthesized at a pressure of one megabar and metastable at ambient conditions

A15 Nb 3 Si is, until now, the only 'high' temperature superconductor produced at high pressure (~110 GPa) that has been successfully brought back to room pressure conditions in a metastable condition. Based on the current great interest in trying to create metastable-at-room-pressure high temperature superconductors produced at high pressure, we have restudied explosively compressed A15 Nb 3 Si and its production from tetragonal Nb 3 Si. First, diamond anvil cell pressure measurements up to 88 GPa were performed on explosively compressed A15 Nb 3 Si material to trace T c as a function of pressure. T c is suppressed to ~5.2 K at 88 GPa. Then, using these T c (P) data for A15 Nb 3 Si, pressures up to 92 GPa were applied at room temperature (which increased to 120 GPa at 5 K) on tetragonal Nb 3 Si. Measurements of the resistivity gave no indication of any A15 structure production, i.e. no indications of the superconductivity characteristic of A15 Nb 3 Si. This is in contrast to the explosive compression (up to P ~ 110 GPa) of tetragonal Nb 3 Si, which produced 50%–70% A15 material, T c = 18 K at ambient pressure, in a 1981 Los Alamos National Laboratory experiment. This implies that the accompanying high temperature (1000 °C) caused by explosive compression is necessary to successfully drive the reaction kinetics of the tetragonal → A15 Nb 3 Si structural transformation. Our theoretical calculations show that A15 Nb 3 Si has an enthalpy vs the tetragonal structure that is 70 meV atom –1 smaller at 100 GPa, while at ambient pressure the tetragonal phase enthalpy is lower than that of the A15 phase by 90 meV atom –1 . Furthermore, the fact that 'annealing' the A15 explosively compressed material at room temperature for 39 years has no effect shows that slow kinetics can stabilize high pressure metastable phases at ambient conditions over long times even for large driving forces of 90 meV atom –1 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

The consistency condition for the three-point function in dissipative single-clock inflation

We generalize the consistency condition for the three-point function in single field inflation to the case of dissipative, multi-field, single-clock models. We use the recently introduced extension of the effective field theory of inflation that accounts for dissipative effects, to provide an explicit proof to leading (non-trivial) order in the generalized slow roll parameters and mixing with gravity scales. Our results illustrate the conditions necessary for the validity of the consistency relation in situations with many degrees of freedom relevant during inflation, namely that there is a preferred clock. Departures from this condition in forthcoming experiments would rule out not only single field but also a large class of multi-field models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Initial conditions for cosmological N-body simulations of the scalar sector of theories of Newtonian, Relativistic and Modified Gravity

We present a description for setting initial particle displacements and field values for simulations of arbitrary metric theories of gravity, for perfect and imperfect fluids with arbitrary characteristics. We extend the Zel'dovich Approximation to nontrivial theories of gravity, and show how scale dependence implies curved particle paths, even in the entirely linear regime of perturbations. For a viable choice of Effective Field Theory of Modified Gravity, initial conditions set at high redshifts are affected at the level of up to 5% at Mpc scales, which exemplifies the importance of going beyond Λ-Cold Dark Matter initial conditions for modifications of gravity outside of the quasi-static approximation. In addition, we show initial conditions for a simulation where a scalar modification of gravity is modelled in a Lagrangian particle-like description. Our description paves the way for simulations and mock galaxy catalogs under theories of gravity beyond the standard model, crucial for progress towards precision tests of gravity and cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Boundary condition effects on runaway electron mitigation coil modeling for the SPARC and DIII-D tokamaks

Abstract Extended-MHD modeling of planned Runaway Electron Mitigation Coils (REMC) for SPARC and DIII-D is performed with the NIMROD code. A coil has been designed for each machine, with the two differing in shape and location, but both having n = 1 symmetry (with n the toroidal mode number). Compared to previous modeling efforts, three improvements are made to the simulations boundary conditions. First a resistive wall model is used in place of an ideal wall. Second, the ThinCurr code is used to compute the time-dependent 3D fields used as magnetic boundary conditions for the simulations. Third, the simulation boundary is moved from the first-wall location to the Vacuum Vessel (VV), which extends the boundary past the location of the internal REMC. To remove the 3D coil from the simulation domain, an equivalent set of 3D fields is calculated at the VV boundary that produce approximately the same field distribution at the last closed flux surface assuming vacuum between the two. Each of these three boundary condition improvements leads to an improvement in the predicted performance of the REMC for both machines. The resistive wall alone primarily effects the resonance of the coil with the plasma after the TQ, affecting the q-profile evolution in the SPARC modeling, and allowing the applied spectrum to be modified in response to the plasma in the DIII-D modeling. The movement of the simulation boundary has the most significant effect on the RE confinement overall, including in the early stages, particularly for a DIII-D inner wall limited equilibrium, where the RE loss fraction increases from 90% to > 99%, with SPARC RE losses also occurring much earlier when the boundary is placed at the VV.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗