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At least 757 records · Page 42

Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transport and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to achieve multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multidisciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; currently interactions rely almost solely on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it. This was the second year for the Summer Workshop. Like the previous year, the workshop’s goals were achieved by bringing into LANL a select group of students recruited from across the United States and immersing them for ten weeks in lectures and interesting research projects. The lectures provided an overview of the computational physics topics of interest this year along with some detailed instruction while the projects gave the students a positive experience accomplishing technical goals. Each team consisted of two students working under one or more mentors from LANL on specific research projects associated with predefined topics. This year, the topics were on verification of simulations in plasma and radiation-hydrodynamics codes, hypervelocity material deformation, plasma physics, graphical processor unit (“GPU”) programming, multi-material mixing, turbulence modeling, computational material science, and electromagnetic pulse simulations. The students’ growth was furthered by their participation on teams where their teammates were sometimes of different academic rank. It also developed them by requiring them to produce written and oral reports that they presented to peers, mentors, and management.

97 MATHEMATICS AND COMPUTING↗

A dynamic model for plant growth: validation study under changing temperatures

A dynamic simulation model to describe vegetative growth of plants, for which some functions and parameter values have been estimated previously by optimization search techniques and numerical experimentation based on data from constant temperature experiments, is validated under conditions of changing temperatures. To test the predictive capacity of the model, dry matter accumulation in the leaves, stems, and roots of tobacco plants (Nicotiana tabacum L.) was measured at 2- or 3-day intervals during a 5-week period when temperatures in controlled-environment rooms were programmed for changes at weekly and daily intervals and in ascending or descending sequences within a range of 14 to 34 degrees C. Simulations of dry matter accumulation and distribution were carried out using the programmed changes for experimental temperatures and compared with the measured values. The agreement between measured and predicted values was close and indicates that the temperature-dependent functional forms derived from constant-temperature experiments are adequate for modelling plant growth responses to conditions of changing temperatures with switching intervals as short as 1 day.

NASA Discipline Number 60-40↗

Global Assessment of Land Surface Temperature From Geostationary Satellites and Model Estimates

Land surface (or 'skin') temperature (LST) lies at the heart of the surface energy balance and is a key variable in weather and climate models. In this research we compare two global and independent data sets: (i) LST retrievals from five geostationary satellites generated at the NASA Langley Research Center (LaRC) and (ii) LST estimates from the quasi-operational NASA GEOS-5 global modeling and assimilation system. The objective is to thoroughly understand both data sets and their systematic differences in preparation for the assimilation of the LaRC LST retrievals into GEOS-5. As expected, mean differences (MD) and root-mean-square differences (RMSD) between modeled and retrieved LST vary tremendously by region and time of day. Typical (absolute) MD values range from 1-3 K in Northern Hemisphere mid-latitude regions to near 10 K in regions where modeled clouds are unrealistic, for example in north-eastern Argentina, Uruguay, Paraguay, and southern Brazil. Typically, model estimates of LST are higher than satellite retrievals during the night and lower during the day. RMSD values range from 1-3 K during the night to 2-5 K during the day, but are larger over the 50-120 W longitude band where the LST retrievals are derived from the FY2E platform

Reichle, Rolf H.↗

Transport and optical conductivity in the Hubbard model: A high-temperature expansion perspective

We derive analytical expressions for the spectral moments of the dynamical response functions of the Hubbard model using the high-temperature series expansion. We consider generic dimension d as well as the infinite- d limit, arbitrary electron density n, and both finite and infinite repulsion U. We use moment-reconstruction methods to obtain the one-electron spectral function, the self-energy, and the optical conductivity. They are all smooth functions at high temperature and, at large U, they are featureless with characteristic widths of the order of the lattice hopping parameter t. In the infinite-d limit, we compare the series expansion results with accurate numerical renormalization group and interaction expansion quantum Monte Carlo results. We find excellent agreement down to surprisingly low temperatures, throughout most of the bad-metal regime, which applies for T≳ (1 - n)D, the Brinkman-Rice scale. The resistivity increases linearly in T at high temperature without saturation. This results from the 1/T behavior of the compressibility or kinetic energy, which play the role of the effective carrier number. In contrast, the scattering time (or diffusion constant) saturates at high T. We find that σ( n,T) ≈ (1 - n)σ(n = 0,T) to a very good approximation for all n, with σ(n = 0,T) ∝ t/T at high temperatures. The saturation at small n occurs due to a compensation between the density dependence of the effective number of carriers and that of the scattering time. The T dependence of the resistivity displays a kneelike feature which signals a crossover to the intermediate-temperature regime where the diffusion constant (or scattering time) starts increasing with decreasing T. At high temperatures, the thermopower obeys the Heikes formula, while the Wiedemann-Franz law is violated with the Lorenz number vanishing as 1/T 2 . The relevance of our calculations to experiments probing high-temperature transport in materials with strong electronic correlations or ultracold atomic gases in an optical lattice is briefly discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural and thermal properties and the origin of the ultralow thermal conductivity in the defect stannite CuIn 2 Se 4

Phase-pure CuIn 2 Se 4 , a ternary metal chalcogenide that forms in a disordered stannite crystal structure, was synthesized to investigate the structure thermal property relationships as well as reveal the origin of the ultralow thermal conductivity this material possesses over a large temperature range. Modeling of the temperature-dependent heat capacity and thermal conductivity revealed distinctive thermal properties and large lattice anharmonicity. Electron localization function calculations highlight the asymmetric bonding inherent to CuIn 2 Se 4 , which together with lattice anharmonicity directly impacts the thermal properties. Our findings reveal the specific atomic arrangement and bonding governing the thermal properties of this ternary metal chalcogenide. Our findings underscore the specific atomic arrangement and bonding governing the thermal properties in this ternary chalcogenide. This study advances the fundamental understanding of stannites, and our findings can be applied to these and other multinary metal chalcogenides of interest for applications where low thermal conductivity is desirable.

36 MATERIALS SCIENCE↗

Transition of temporal scaling behavior in percolation assisted shear-branching structure during plastic deformation

This study explores the temporal scaling behavior induced shear-branching structure in response to variant temperatures and strain rates during plastic deformation of Zr-based bulk metallic glass (BMG). The data analysis based on the compression tests suggests that there are two states of shear-branching structures: the fractal structure with a long-range order at an intermediate temperature of 223 K and a larger strain rate of 2.5 × 10 –2 s –1 ; the disordered structure dominated at other temperature and strain rate. It can be deduced from the percolation theory that the compressive ductility, ec, can reach the maximum value at the intermediate temperature. Furthermore, a dynamical model involving temperature is given for depicting the shear-sliding process, reflecting the plastic deformation has fractal structure at the temperature of 223 K and strain rate of 2.5 × 10 –2 s –1 .

36 MATERIALS SCIENCE↗

2015 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transport and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it. This report includes both the background for the program and the reports from the students.

36 MATERIALS SCIENCE↗

2016 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transport and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

E3SMv3 ‘Nephele’ Perturbed Parameter Ensemble Value-Added Product for ENA, SGP, NSA, and Global Means

Processed output from the E3SMv3 Nephele perturbed parameter ensemble (PPE). This product contains global means of present-day (using 2010 aerosol forcings) and preindustrial (using 1850 aerosol forcings) monthly and daily global-mean quantities, as well as hourly mean quantities at the E3SMv3 model grid cell closest to the ENA, SGP, and NSA ARM sites. In this PPE, the E3SMv3 model was run for 27 months in an atmosphere-only configuration with free tropospheric winds nudged to reanalysis. Each ensemble member represents a unique combination of 25 model parameter values (in the microphysics, convective microphysics, and aerosol schemes) that were perturbed randomly and simultaneously. The E3SMv3 default configuration is included as member 0. See https://doi.org/10.22541/essoar.174907165.57104591/v1 (in review) for more information on the Nephele PPE and the perturbed parameters.

Model atmospheric temperature↗

Soil Moisture Project Evaluation Workshop

Approaches planned or being developed for measuring and modeling soil moisture parameters are discussed. Topics cover analysis of spatial variability of soil moisture as a function of terrain; the value of soil moisture information in developing stream flow data; energy/scene interactions; applications of satellite data; verifying soil water budget models; soil water profile/soil temperature profile models; soil moisture sensitivity analysis; combinations of the thermal model and microwave; determing planetary roughness and field roughness; how crust or a soil layer effects microwave return; truck radar; and truck/aircraft radar comparison.

Gilbert, R. H.↗

Radiation fluxes at the FIFE site

The main objective of the International Satellite Land Surface Climatology Project (ISLSCP) has been stated as 'the development of techniques that may be applied to satellite observations of the radiation reflected and emitted from the Earth to yield quantitative information concerning land surface climatological conditions'. The major field study, FIFE (the First ISLSCP Field Experiment), was conducted in 1987-89 to accomplish this objective. Four intensive field campaigns (IFC's) were carried out in 1987 and one in 1989. Factors contributing to observed reflected radiation from the FIFE site must be understood before the radiation observed by satellites can be used to quantify surface processes. Our last report (Walter-Shea et al., 1992b) focused on slope effects on incoming and outgoing shortwave radiation and net radiation from data collected in 1989. We report here on the final analysis of the slope data as well as results from thermal radiation studies conducted during the FIFE experiment. The specific areas reported are the following: (1) analysis of slope effects on measured reflectance values and estimates of surface albedo; (2) using remotely-measured surface temperatures as a means of estimating sensible heat flux from the Konza Prairie; (3) extracting canopy temperatures from remotely-measured composite surface temperatures; (4) modeling the measured composite temperature of partially vegetated surfaces; and (5) estimating gap distribution in partially vegetated surfaces from reflectance measurements.

Walter-Shea, Elizabeth A.↗

Rosat observations of FK comae berenices

We obtained ROSAT PSPC observations of FK Com over a period of 24.4 h, or 0.42 rotation. During the observations the x-ray flux increased by a factor of at least 5 before declining toward its previous level. A single temperature Raymond-Smith model is adequate to model the low signal-to-noise ratio spectrum from each observation interval. Initially the spectrum was that of a 8.5 x 10(exp 6) K plasma, with L9sub x)=0.66 x 10(exp 31) erg s(exp -1). When the x-ray flux was greatest, the model plasma temperature rose to 2.5 x 10(exp 7) K, and L(sub x)=3.46 x 10(exp 31) ergs(exp -1). During the post-maximum decline in luminosity the plasma temperature was approximately 12 x 10(exp 6) K. We conclude that the increase of x-ray flux recorded by ROSAT was due to an x-ray flare with a 1.5 h decline time scale.

Welty, Alan D.↗

ROSAT observation of W28

The results of the three Rosat position sensitive proportional counter (PSPC) observations of the supernova remnant W28 are discussed. The X-ray emission of W28 is centrally concentrated, while the radio emission has a shell-like morphology. The structure is likely to be due to a large H I or molecular cloud in the north of the remnant, which is consistent with the OH maser detection along the inner shell. The spectra are well modeled by a one temperature thermal model. The origin of the central emission and the effects of the reflected shock from the large scale H I and the molecular gas on the X-ray and radio morphologies are discussed.

Rho, J.-H.↗

The Agricultural Model Intercomparison and Improvement Project (AgMIP): Protocols and Pilot Studies

The Agricultural Model Intercomparison and Improvement Project (AgMIP) is a major international effort linking the climate, crop, and economic modeling communities with cutting-edge information technology to produce improved crop and economic models and the next generation of climate impact projections for the agricultural sector. The goals of AgMIP are to improve substantially the characterization of world food security due to climate change and to enhance adaptation capacity in both developing and developed countries. Analyses of the agricultural impacts of climate variability and change require a transdisciplinary effort to consistently link state-of-the-art climate scenarios to crop and economic models. Crop model outputs are aggregated as inputs to regional and global economic models to determine regional vulnerabilities, changes in comparative advantage, price effects, and potential adaptation strategies in the agricultural sector. Climate, Crop Modeling, Economics, and Information Technology Team Protocols are presented to guide coordinated climate, crop modeling, economics, and information technology research activities around the world, along with AgMIP Cross-Cutting Themes that address uncertainty, aggregation and scaling, and the development of Representative Agricultural Pathways (RAPs) to enable testing of climate change adaptations in the context of other regional and global trends. The organization of research activities by geographic region and specific crops is described, along with project milestones. Pilot results demonstrate AgMIP's role in assessing climate impacts with explicit representation of uncertainties in climate scenarios and simulations using crop and economic models. An intercomparison of wheat model simulations near Obregón, Mexico reveals inter-model differences in yield sensitivity to [CO2] with model uncertainty holding approximately steady as concentrations rise, while uncertainty related to choice of crop model increases with rising temperatures. Wheat model simulations with midcentury climate scenarios project a slight decline in absolute yields that is more sensitive to selection of crop model than to global climate model, emissions scenario, or climate scenario downscaling method. A comparison of regional and national-scale economic simulations finds a large sensitivity of projected yield changes to the simulations' resolved scales. Finally, a global economic model intercomparison example demonstrates that improvements in the understanding of agriculture futures arise from integration of the range of uncertainty in crop, climate, and economic modeling results in multi-model assessments.

Rosenzweig, C.↗

Thermocouple Temperature Measurements in Selective Laser Melting Additive Manufacturing

The extreme thermal history resulting from selective laser melting leads to microstructural characteristics and residual stresses that have considerable impact on the mechanical behavior of the printed part. Accurate measurements of the temperature combined with thermal models are needed to better understand and control the thermal history to optimize mechanical properties. In order to calibrate and validate models, experimental temperature data must be accurately measured in a rapid fashion due to the high speeds of the laser. In this work, a novel method to read data from thermocouples is created with enhanced circuitry that achieves a sampling rate of 10 kHz. This data acquisition rate allows for high precision sampling of SLM heating and cooling cycles.

additive manufacturing↗

Using Mylar-Insulated Cryopumping Panels to Improve Vacuum Level During Warm Temperature Testing at JSC's Large Thermal Vacuum Facilities

Johnson Space Center’s Space Environment Simulation Lab (SESL) has both Chamber A, the world’s largest purpose-built thermal vacuum chamber capable of creating deep space conditions, and Chamber B, the largest human rated thermal vacuum chamber. A unique design feature of these chambers is the gaseous helium cryopumping panels within the liquid nitrogen shroud. This shroud is used to bring the chamber to cryogenic temperatures while the cryopumping panels trap gasses on its surface area to create a high vacuum environment of 5*10-6 Torr. In preparation for the James Webb Space Telescope (JWST) flight test, a series of functionals required the chamber to run at higher temperatures, and therefore did not need active cooling from the liquid nitrogen shroud. During testing, cryopumping panels were used to mitigate contamination during this main shroud warm-up. One of the cryopumping panels in Chamber A was covered with several layers of aluminized mylar to thermally protect the zone from the warmed shroud. This strategy was effective and became part of operations during JWST testing. Currently, Chamber B has requests for both commercial and NASA space suit tests at both high and low temperatures to validate thermal models. High temperature tests could benefit from reduced heater demand with an insulated shroud while still sustaining the high vacuum environment provided by the cryopumping panels. This paper will quantitatively define the thermal loads on the panels used in previous Chamber A warm up sequences. Additionally, this report will perform thermal analyses to assess the feasibility of adding layers of aluminized mylar to the cryopumping panels of Chamber B.

Cryogenics↗

Modeling Contact Angle vs. Temperature for the Quartz-Water-Decane System

Innovative approaches are needed to improve the efficiency of oil recovery technologies to meet the growing demands of fossil-fuel based energy consumption. Enhanced oil recovery (EOR) methods such as low-salinity waterflooding and chemically tuned waterflooding aim to optimize the reservoir’s wetting properties, detaching oil globules from rock surfaces and allowing easier oil flow through pore throats. This wetting behavior is commonly quantified by contact angle measurements of the rock-oil-brine interface, which have been thoroughly investigated and theorized for many systems at ambient temperatures and pressures. However, few studies exist for extending contact angle theories away from ambient conditions. In this paper, we model the contact angles of a quartz-water-decane system at elevated temperatures using the surface tension component (STC) approach. Temperature-dependent van der Waals [Lifshitz-van der Waals (LW)] interactions and hydrogen-bonding (acid-base) interactions were calculated and are incorporated into the model for the quartz-water-decane interface. Additionally, the Hough and White procedure was used to create temperature-dependent dielectric functions of quartz, water, and normal decane for calculations of Hamaker coefficients. Hamaker coefficients calculated this way are highly linear with temperature and agree well with Israelachvili’s approximation. The acid-base interactions likely contribute the most to system wettability changes. Resulting contact angles of the quartz-water-decane system shift from water-wet (16°) to slightly water-wet (57.4°) as temperature increases. The model was also successfully verified for the quartz-air-water system. Our results can be used in future studies to determine optimal injected water compositions for specific rock-oil-brine and other systems with consideration of reservoir temperature.

02 PETROLEUM↗

Modeling Near-Surface Temperatures at Martian Landing Sites

We have developed a process for deriving near-surface (approx. 1m) temperatures for potential landing sites, based on observational parameters from MGS TES, Odyssey THEMIS, and a boundary layer model developed by Murphy for fitting Pathfinder meteorological measurements. Minimum nighttime temperatures at the MER landing sites can limit power available, and thus mission lifetime. Temperatures are derived based on thermal inertia, albedo, and opacity estimated for the Hematite site in Sinus Meridiani, using predictions of 1-m air temperatures from a one-dimensional atmospheric model. The Hematite site shows 9 % probability of landing at a location with nighttime temperatures below the 97 C value considered to be a practical limit for operations.

T Z Martin↗