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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Phase Transitions in Organic and Organic/Inorganic Aerosol Particles

The phase state of aerosol particles can impact numerous atmospheric processes, including new particle growth, heterogeneous chemistry, cloud condensation nucleus formation, and ice nucleation. In this article, the phase transitions of inorganic, organic, and organic/inorganic aerosol particles are discussed, with particular focus on liquid-liquid phase separation (LLPS). The physical chemistry that determines whether LLPS occurs, at what relative humidity it occurs, and the resultant particle morphology is explained using both theoretical and experimental methods. The known impacts of LLPS on aerosol processes in the atmosphere are discussed. Finally, potential evidence for LLPS from field and chamber studies is presented. By understanding the physical chemistry of the phase transitions of aerosol particles, we will acquire a better understanding of aerosol processes, which in turn impact human health and climate.

Chemistry↗
DOE OSTI2024

Physics and chemistry from parsimonious representations: image analysis via invariant variational autoencoders

Electron, optical, and scanning probe microscopy methods are generating ever increasing volume of image data containing information on atomic and mesoscale structures and functionalities. This necessitates the development of the machine learning methods for discovery of physical and chemical phenomena from the data, such as manifestations of symmetry breaking phenomena in electron and scanning tunneling microscopy images, or variability of the nanoparticles. Variational autoencoders (VAEs) are emerging as a powerful paradigm for the unsupervised data analysis, allowing to disentangle the factors of variability and discover optimal parsimonious representation. Here, we summarize recent developments in VAEs, covering the basic principles and intuition behind the VAEs. The invariant VAEs are introduced as an approach to accommodate scale and translation invariances present in imaging data and separate known factors of variations from the ones to be discovered. We further describe the opportunities enabled by the control over VAE architecture, including conditional, semi-supervised, and joint VAEs. Several case studies of VAE applications for toy models and experimental datasets in Scanning Transmission Electron Microscopy are discussed, emphasizing the deep connection between VAE and basic physical principles. Python codes and datasets discussed in this article are available at https://github.com/saimani5/VAE-tutorials and can be used by researchers as an application guide when applying these to their own datasets.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Sensitivity analysis of discrete structural systems: A survey

Methods for calculating sensitivity derivatives for discrete structural systems are surveyed, primarily covering literature published during the past two decades. Methods are described for calculating derivatives of static displacements and stresses, eigenvalues and eigenvectors, transient structural response, and derivatives of optimum structural designs with respect to problem parameters. The survey is focused on publications addressed to structural analysis, but also includes a number of methods developed in nonstructural fields such as electronics, controls, and physical chemistry which are directly applicable to structural problems. Most notable among the nonstructural-based methods are the adjoint variable technique from control theory, and the Green's function and FAST methods from physical chemistry.

Adelman, H. M.↗
NASA NTRS1986

Sensitivity analysis of discrete structural systems

Methods for calculating sensitivity derivatives for discrete structural systems are surveyed, primarily covering literature published during the past two decades. Methods are described for calculating derivatives of static displacements and stresses, eigenvalues and eigenvectors, transient structural response, and derivatives of optimum structural designs with respect to problem parameters. The survey is focused on publications developed in nonstructural fields such as electronics, controls, and physical chemistry which are directly applicable to structural problems. Most notable among the nonstructural-based methods are the adjoint variable technique from control theory, and the Green's function and FAST methods from physical chemistry.

Adelman, H. M.↗
NASA NTRS1987

Earth materials research: Report of a Workshop on Physics and Chemistry of Earth Materials

The report concludes that an enhanced effort of earth materials research is necessary to advance the understanding of the processes that shape the planet. In support of such an effort, there are new classes of experiments, new levels of analytical sensitivity and precision, and new levels of theory that are now applicable in understanding the physical and chemical properties of geological materials. The application of these capabilities involves the need to upgrade and make greater use of existing facilities as well as the development of new techniques. A concomitant need is for a sample program involving their collection, synthesis, distribution, and analysis.

Source record↗
NASA NTRSDate not supplied

Knudsen Effusion Mass Spectrometry: Principles and Applications

Knudsen Effusion Mass Spectrometry (KEMS) is a well-established technique in physical chemistry. First, we discuss the basic principles of the technique. It is based on a small enclosure which sets up a condensed/vapor near equilibria. A small, well-defined orifice allows the vapor to be sampled a mass spectrometer. Although the number of groups utilizing this method has decrease significantly from its height in 1960s, we will show that it is still useful for many problems in physical chemistry, materials science, geology, and nuclear science. Specific examples illustrate its versatility: Measurement of the enthalpy of formation of HfO(g); measurement of activities in the Ti-Al-O and Ni-Al systems; measurement of activities in several rare earth silicate systems; measurement of vapor pressures above olivine; dating of minerals with K/Ar method; and determination of adsorption/desorption behavior on nuclear fission products on graphite. These are only a small sampling of the many applications of this versatile technique.

Mass spectrometry, thermodynamics, high temperatur↗
NASA NTRS1989

The physics and chemistry of the L134N molecular core

The dark cloud L134N is studied in detail via millimeter- and centimeter-wavelength emission-line spectra. A high-density core of molecular gas exists in L134N which has a kinetic temperature of about 12 K, a peak molecular hydrogen density of about 10 exp 4.5/cu cm, and a mass of about 23 solar. The core may be the site of future star formation. Maps of emission from (C-18)O, CS, H(C-13)O(+), SO, NH3, and C3H2 reveal morphologically different distributions resulting in part from both varying physical conditions within the cloud and optical depth effects. Significant differences also exist which are probably due to chemical abundance variations. A consistent set of LTE chemical abundances has been estimated at as many as seven positions, which can be used to constrain chemical models of dark clouds.

Swade, Daryl A.↗
DOE OSTI2021

Fast inversion, preconditioned quantum linear system solvers, fast Green's-function computation, and fast evaluation of matrix functions

Preconditioning is the most widely used and effective way for treating ill-conditioned linear systems in the context of classical iterative linear system solvers. We introduce a quantum primitive called fast inversion, which can be used as a preconditioner for solving quantum linear systems. The key idea of fast inversion is to directly block encode a matrix inverse through a quantum circuit implementing the inversion of eigenvalues via classical arithmetics. We demonstrate the application of preconditioned linear system solvers for computing single-particle Green's functions of quantum many-body systems, which are widely used in quantum physics, chemistry, and materials science. We analyze the complexities in three scenarios: the Hubbard model, the quantum many-body Hamiltonian in the plane-wave-dual basis, and the Schwinger model. We also provide a method for performing Green's function calculation in second quantization within a fixed-particle manifold and note that this approach may be valuable for simulation more broadly. Aside from solving linear systems, fast inversion also allows us to develop fast algorithms for computing matrix functions, such as the efficient preparation of Gibbs states. Furthermore, we introduce two efficient approaches for such a task, based on the contour-integral formulation and the inverse transform, respectively.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1980

Recent planetary physics and chemistry

During the past few years considerable progress has been made in the knowledge and understanding of the origin of planets and of the structure of their interiors and atmospheres. Some of these advances, including Venera and Viking results, are reviewed for all the planets (except earth) with emphasis on those data that seem amenable to theoretical analysis. Results of the 1978-79 Mariner-Venus Orbiter, Pioneer 11, and Voyager 1 and 2 missions as well as other observations are briefly summarized.

Smoluchowski, R.↗
NASA NTRS1985

Physics and chemistry of sulfur lakes on Io

Based on data from Loki and other hot spot regions, a model for a convecting sulfur lake that is heated from below is constructed. Temperature profiles and fluxes in the silicate and sulfur regions are consistent with the observed Loki highest-temperature component and excess flux. Evaporatin of sulfur sets a strong upper limit on the lake surface temperature, and the intermediate temperature in the Loki region is identified with sulfur vapor condensing primarily along lake shores. Simple models of sulfur vapor transport can be used to match the Voyager IRIS data, assuming sulfur vapor condensed on the shore radiates like a blackbody. The 1 - 100 year lifetime of such a lake in steady state implies that long-term earth-based observations interpreted with this model could detect variations in the Loki thermal output. The sodium-sulfur phase diagram is also presented and used to show that evaporated lakes may leave behind sodium-rich residue which could supply the torus with sodium. Finally, uncertainties in the model are assessed, including the lack of sulfur emission features in the Loki spectrum.

Lunine, J. I.↗
NASA NTRS1986

The physics and chemistry of dusty plasmas: A laboratory and theoretical investigation

Theoretical work on dusty plasmas was conducted in three areas: collective effects in a dusty plasma, the role of dusty plasmas in cometary atmospheres, and the role of dusty plasmas in planetary atmospheres (particularly in the ring systems of the giant planets). Laboratory investigations consisted of studies of dust/plasma interactions and stimulated molecular excitation and infrared emission by charged dust grains. Also included is a list of current publications.

Whipple, E. C.↗
NASA NTRS1987

Physics and chemistry

The following types of experiments for a proposed Space Station Microgravity Particle Research Facility are described: (1) rheology of assemblies of inelastic, frictional particles; (2) grain dynamics in zero gravity; (3) properties of tenuous fractal aggregates; (4) orientation of weakly ferroelectric dust grains; (5) supersonic nozzle beam; and (6) some astrophysical cluster experiments. The required capabilities and desired hardware for the facility are detailed.

Moskovits, Martin↗
NASA NTRS1992

Workshop on the Physics and Chemistry of Magma Oceans from 1 Bar to 4 Mbar

Evidence for the existence of magma oceans is discussed in great detail, and among the many new items introduced were high-pressure phase equilibrium experiments, calculations of depth of impact-produced melting, models incorporating crystal growth rates with degree of crystallinity and convection, and models of hard turbulent convection. It was agreed that before we can point to some present-day observable parameters and confidently establish the existence of magma oceans, we must learn much more about their phase equilibria and solidification dynamics.

Agee, Carl B.↗