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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Formation of active sites on transition metals through reaction-driven migration of surface atoms

Adopting low-index single-crystal surfaces as models for metal nanoparticle catalysts has been questioned by the experimental findings of adsorbate-induced formation of subnanometer clusters on several single-crystal surfaces. Here we used density functional theory calculations to elucidate the conditions that lead to cluster formation and show how adatom formation energies enable efficient screening of the conditions required for adsorbate-induced cluster formation. We studied a combination of eight face-centered cubic transition metals and 18 common surface intermediates and identified systems relevant to catalytic reactions, such as carbon monoxide (CO) oxidation and ammonia (NH 3 ) oxidation. We used kinetic Monte Carlo simulations to elucidate the CO-induced cluster formation process on a copper surface. Scanning tunneling microscopy of CO on a nickel (111) surface that contains steps and dislocations points to the structure sensitivity of this phenomenon. Metal-metal bond breaking that leads to the evolution of catalyst structures under realistic reaction conditions occurs much more broadly than previously thought.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

EOS7CA Version 1.0: TOUGH2 Module for Gas Migration in Shallow Subsurface Porous Media Systems

EOS7CA is a TOUGH2 module for mixtures of a non-condensible gas (NCG) and air (with or without a gas tracer), an aqueous phase, and water vapor. The user can select the NCG as being CO2, N2, or CH4. EOS7CA uses a cubic equation of state with a multiphase version of Darcy's Law to model flow and transport of gas and aqueous phase mixtures over a range of pressures and temperatures appropriate to shallow subsurface porous media systems. The limitation to shallow systems arises from the use of Henry's Law for gas solubility which is appropriate for low pressures but begins to over-predict solubility starting at pressures greater than approximately 1 MPa (10 bar). The components modeled in EOS7CA are water, brine, NCG, gas tracer, air, and optional heat.

Oldenburg, CurtisM↗
DOE OSTI2020

Postglacial migration shaped the genomic diversity and global distribution of the wild ancestor of lager-brewing hybrids

The wild, cold-adapted parent of hybrid lager-brewing yeasts, Saccharomyces eubayanus, has a complex and understudied natural history. The exploration of this diversity can be used both to develop new brewing applications and to enlighten our understanding of the dynamics of yeast evolution in the wild. Here, we integrate whole genome sequence and phenotypic data of 200 S. eubayanus strains, the largest collection known to date. S. eubayanus has a multilayered population structure, consisting of two major populations that are further structured into six subpopulations. Four of these subpopulations are found exclusively in the Patagonian region of South America; one is found predominantly in Patagonia and sparsely in Oceania and North America; and one is specific to the Holarctic ecozone. Plant host associations differed between subpopulations and between S. eubayanus and its sister species, Saccharomyces uvarum. S. eubayanus is most abundant and genetically diverse in northern Patagonia, where some locations harbor more genetic diversity than is found outside of South America, suggesting that northern Patagonia east of the Andes was a glacial refugium for this species. All but one subpopulation shows isolation-by-distance, and gene flow between subpopulations is low. However, there are strong signals of ancient and recent outcrossing, including two admixed lineages, one that is sympatric with and one that is mostly isolated from its parental populations. Using our extensive biogeographical data, we build a robust model that predicts all known and a handful of additional regions of the globe that are climatically suitable for S. eubayanus, including Europe where host accessibility and competitive exclusion by other Saccharomyces species may explain its continued elusiveness. We conclude that this industrially relevant species has rich natural diversity with many factors contributing to its complex distribution and natural history.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Particulate mass migration and mixing in cylindrically contained explosions

Abstract To explore particulate movement near the plasma of chemical explosions, rugged tracer particles were placed within and on the exterior of metal charges and electrically detonated. The particles were collected on/in the porous walls of plastic cylinders at diameters that correlated to the plasma width during different phases of the explosion. The particles’ positions were determined by Boolean logic analysis of their luminescent intensity. The cylinders which caught particles from the initial phases of the explosion retained placement information, while wider cylinders showed uniform mixing. These results/analysis methodology can help improve the understanding of particulate mixing in harsh environments. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2015

Draft Test Plan for Brine Migration Experimental Studies in Run-of-Mine Salt Backfill

The primary objective of the experimental effort described here is to aid in understanding the complex nature of liquid, vapor, and solid transport occurring around heated nuclear waste in bedded salt. In order to gain confidence in the predictive capability of numerical models, experimental validation must be performed to ensure that (a) hydrological and physiochemical parameters and (b) processes are correctly simulated. The experiments proposed here are designed to study aspects of the system that have not been satisfactorily quantified in prior work. In addition to exploring the complex coupled physical processes in support of numerical model validation, lessons learned from these experiments will facilitate preparations for larger-scale experiments that may utilize similar instrumentation techniques.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

EOS7CA Version 1.0: TOUGH2 Module for Gas Migration in Shallow Subsurface Porous Media Systems

EOS7CA is a TOUGH2 module for mixtures of a non-condensible gas (NCG) and air with or without a gas tracer, an aqueous phase, and water vapor. The user can select the NCG as being CO 2 , N 2 , or CH 4 . EOS7CA uses a cubic equation of state with a multiphase version of Darcy’s Law to model flow and transport of gas and aqueous phase mixtures over a range of pressures and temperatures appropriate to shallow subsurface porous media systems. The limitation to shallow systems arises from the use of Henry’s Law for gas solubility which is appropriate for low pressures but begins to over-predict solubility starting at pressures greater than approximately 1 MPa (10 bar). The components modeled in EOS7CA are water, brine, NCG, gas tracer, air, and optional heat. The real gas properties module (ZEVCA) has options for Peng-Robinson, Redlich-Kwong, or Soave-Redlich-Kwong equations of state to calculate gas mixture density, enthalpy departure, and viscosity. Transport of the gaseous and dissolved components is by advection and Fickian molecular diffusion. This user guide provides instructions for use and two sample problems as verification and demonstration of EOS7CA.

03 NATURAL GAS↗
DOE OSTI2015

Fabrication and Characterization of Samples for a Material Migration Experiment on the Experimental Advanced Superconducting Tokamak (EAST).

This report documents work done for the ITER International Fusion Energy Organization (Sponsor) under a Funds-In Agreement FI 011140916 with Sandia National Laboratories. The work consists of preparing and analyzing samples for an experiment to measure material erosion and deposition in the EAST Tokamak. Sample preparation consisted of depositing thin films of carbon and aluminum onto molybdenum tiles. Analysis consists of measuring the thickness of films before and after exposure to helium plasma in EAST. From these measurements the net erosion and deposition of material will be quantified. Film thickness measurements are made at the Sandia Ion Beam Laboratory using Rutherford backscattering spectrometry and nuclear reaction analysis, as described in this report. This report describes the film deposition and pre-exposure analysis. Results from analysis after plasma exposure will be given in a subsequent report.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗