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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 145 records · Page 8

Understanding Climate Policy Data Needs. NASA Carbon Monitoring System Briefing: Characterizing Flux Uncertainty, Washington D.C., 11 January 2012

Climate policy in the United States is currently guided by public-private partnerships and actions at the local and state levels. This mitigation strategy is made up of programs that focus on energy efficiency, renewable energy, agricultural practices and implementation of technologies to reduce greenhouse gases. How will policy makers know if these strategies are working, particularly at the scales at which they are being implemented? The NASA Carbon Monitoring System (CMS) will provide information on carbon dioxide fluxes derived from observations of earth's land, ocean and atmosphere used in state of the art models describing their interactions. This new modeling system could be used to assess the impact of specific policy interventions on CO2 reductions, enabling an iterative, results-oriented policy process. In January of 2012, the CMS team held a meeting with carbon policy and decision makers in Washington DC to describe the developing modeling system to policy makers. The NASA CMS will develop pilot studies to provide information across a range of spatial scales, consider carbon storage in biomass, and improve measures of the atmospheric distribution of carbon dioxide. The pilot involves multiple institutions (four NASA centers as well as several universities) and over 20 scientists in its work. This pilot study will generate CO2 flux maps for two years using observational constraints in NASA's state-of -the-art models. Bottom-up surface flux estimates will be computed using data-constrained land and ocean models; comparison of the different techniques will provide some knowledge of uncertainty in these estimates. Ensembles of atmospheric carbon distributions will be computed using an atmospheric general circulation model (GEOS-5), with perturbations to the surface fluxes and to transport. Top-down flux estimates will be computed from observed atmospheric CO2 distributions (ACOS/GOSAT retrievals) alongside the forward-model fields, in conjunction with an inverse approach based on the CO2 model of GEOS ]Chem. The forward model ensembles will be used to build understanding of relationships among surface flux perturbations, transport uncertainty and atmospheric carbon concentration. This will help construct uncertainty estimates and information on the true spatial resolution of the top-down flux calculations. The relationship between the top-down and bottom-up flux distributions will be documented. Because the goal of NASA CMS is to be policy relevant, the scientists involved in the flux modeling pilot need to understand and be focused on the needs of the climate policy and decision making community. If policy makers are to use CMS products, they must be aware of the modeling effort and begin to design policies that can be evaluated with information. Improving estimates of carbon sequestered in forests, for example, will require information on the spatial variability of forest biomass that is far more explicit than is presently possible using only ground observations. Carbon mitigation policies being implemented by cities around the United States could be designed with the CMS data in mind, enabling sequential evaluation and subsequent improvements in incentives, structures and programs. The success of climate mitigation programs being implemented in the United States today will hang on the depth of the relationship between scientists and their policy and decision making counterparts. Ensuring that there is two-way communication between data providers and users is important for the success both of the policies and the scientific products meant to support them..

Brown, Molly E.↗

A preliminary evaluation of the airborne electromagnetic bathymetry system for characterization of coastal sediments and marsh soils

Airborne electromagnetic (AEM) data acquired over a coastal region of North Carolina as part of a prototype testing program is analyzed with emphasis on multiple transects crossing a variety of geomorphic/landscape types as a means of conducting a preliminary evaluation of the sensor's ability to determine water depth and characterize a number of water and sediment physical properties such as water conductivity, sediment conductivity, sediment porosity, and sediment density. The study site is described, along with the flight line mission plan and data acquisition and processing. Good agreement between AEM-measured bathymetry and ground truth is reported, and it is concluded that in the marine environment, this system can traverse areas more rapidly than ships with acoustic systems and can collect data from shallow or inaccessible regions.

Pelletier, R. E.↗

Exo-C: a Probe-Scale Space Mission to Directly Image and Spectroscopically Characterize Exoplanetary Systems Using an Internal Coronagraph

"Exo-C" is NASA's first community study of a modest aperture space telescope designed for high contrast observations of exoplanetary systems. The mission will be capable of taking optical spectra of nearby exoplanets in reflected light, discover previously undetected planets, and imaging structure in a large sample of circumstellar disks. It will obtain unique science results on planets down to super-Earth sizes and serve as a technology pathfinder toward an eventual flagship-class mission to find and characterize habitable exoplanets. We present the mission/payload design and highlight steps to reduce mission cost/risk relative to previous mission concepts. At the study conclusion in 2015, NASA will evaluate it for potential development at the end of this decade. Keywords: Exoplanets, high contrast imaging, optical astronomy, space mission concepts

high contrast imaging↗

Quantum simulations of excited states with active-space downfolded Hamiltonians

Many-body techniques based on the double unitary coupled cluster ansatz (DUCC) can be used to downfold electronic Hamiltonians into low-dimensional active spaces. It can be shown that the resulting dimensionality reduced Hamiltonians are amenable for quantum computing. Recent studies performed for several benchmark systems using quantum phase estimation (QPE) algorithms demonstrated that these formulations can recover a significant portion of ground-state dynamical correlation effects that stem from the electron excitations outside of the active space. These results have also been confirmed in studies of ground-state potential energy surfaces using quantum simulators. In this letter, we study the effectiveness of the DUCC formalism in describing excited states. We also emphasize the role of the QPE formalism and its stochastic nature in discovering/identifying excited states or excited-state processes in situations when the knowledge about the true configurational structure of a sought after excited state is limited or postulated (due to the specific physics driving excited-state processes of interest). In this context, we can view the QPE algorithm as an engine for verifying various hypotheses for excited-state processes and providing statistically meaningful results that correspond to the electronic state(s) with the largest overlap with a postulated configurational structure. We illustrate these ideas on examples of strongly cor- related molecular systems, characterized by small energy gaps and high density of quasi-degenerate states around the Fermi level.

quantum chemistry, quantum computing, computationa↗

Mechanochemistry of the LiBH 4 –AlCl 3 System: Structural Characterization of the Products by Solid-State NMR

The double-cation metal borohydride, Li 4 Al 3 (BH 4 ) 13 , mechanochemically produced from a 13:3 mixture of lithium borohydride (LiBH 4 ) and aluminum chloride (AlCl 3 ), has a low hydrogen desorption temperature; however, the material’s decomposition is accompanied by a large emission of toxic diborane (B 2 H 6 ). In this study, we found that a decrease of the LiBH 4 :AlCl 3 ratio in the starting mixture yields increased amounts of partially chlorinated products that also dehydrogenate at low temperature, but release negligibly small amounts of diborane. Extensive characterization by solid-state NMR spectroscopy (SSNMR) and powder X-ray diffraction (XRD) found that the 11:3 ratio product maintains the Li 4 Al 3 (BH 4 ) 13- like structure, with additional Cl – anions substituting for [BH 4 ] – compared to the 13:3 mixture. Further decrease of relative LiBH 4 concentration in the starting mixture to 9:3 results in a different product composed of tetrahedral [Al(BH 4 ) 4 ] - and [Al(BH 4 ) 2 Cl 2 ] - complexes, in which two hydrogen atoms of each borohydride group are bridged to aluminum sites. Additionally, SSNMR revealed the covalent character of the Al–H bonds, which is not observed in Li 4 Al 3 (BH 4 ) 13 . In conclusion, these findings suggest that the Al–Cl bonding present in the chlorinated complexes prevents the formation of Al(BH 4 ) 3 , which is a known intermediate leading to the formation of diborane during thermal dehydrogenation of the nearly chlorine-free Li 4 Al 3 (BH 4 ) 13 .

36 MATERIALS SCIENCE↗

Using an Explainable Machine Learning Approach to Characterize Earth System Model Errors: Application of SHAP Analysis to Modeling Lightning Flash Occurrence

Abstract Computational models of the Earth System are critical tools for modern scientific inquiry. Efforts toward evaluating and improving errors in representations of physical and chemical processes in these large computational systems are commonly stymied by highly nonlinear and complex error behavior. Recent work has shown that these errors can be effectively predicted using modern Artificial Intelligence (A.I.) techniques. In this work, we go beyond these previous studies to apply an explainable A.I. technique to not only predict model errors but also move toward understanding the underlying reasons for successful error prediction. We use XGBoost classification trees and SHapley Additive exPlanations analysis to explore the errors in the prediction of lightning occurrence in the NASA Goddard Earth Observing System model, a widely used Earth System Model. This explainable error prediction system can effectively predict the model error and indicates that the errors are strongly related to convective processes and the characteristics of the land surface.

54 ENVIRONMENTAL SCIENCES↗

Accurate calculation of equilibrium reduced density matrix for the system-bath model: A multilayer multiconfiguration time-dependent Hartree approach and its comparison to a multi-electronic-state path integral molecular dynamics approach

An efficient and accurate method for computing the equilibrium reduced density matrix is presented for treating open quantum systems characterized by the system-bath model. The method employs the multilayer multiconfiguration time-dependent Hartree theory for imaginary time propagation and an importance sampling procedure for calculating the quantum mechanical trace. The method is applied to the spin-boson Hamiltonian, which leads to accurate results in agreement with those produced by the multi-electronic-state path integral molecular dynamics method.

Physics↗

Thermal barrier coating life-prediction model development

The program focuses on predicting the lives of two types of strain-tolerant and oxidation-resistant thermal barrier coating (TBC) systems that are produced by commercial coating suppliers to the gas turbine industry. The plasma-sprayed TBC system, composed of a low-pressure plasma-spray (LPPS) or an argon shrouded plasma-spray (ASPS) applied oxidation resistant NiCrAlY or (CoNiCrAlY) bond coating and an air-plasma-sprayed yttria partially stabilized zirconia insulative layer, is applied by both Chromalloy, Klock, and Union Carbide. The second type of TBS is applied by the electron beam-physical vapor deposition (EB-PVD) process by Temescal. The second year of the program was focused on specimen procurement, TMC system characterization, nondestructive evaluation methods, life prediction model development, and TFE731 engine testing of thermal barrier coated blades. Materials testing is approaching completion. Thermomechanical characterization of the TBC systems, with toughness, and spalling strain tests, was completed. Thermochemical testing is approximately two-thirds complete. Preliminary materials life models for the bond coating oxidation and zirconia sintering failure modes were developed. Integration of these life models with airfoil component analysis methods is in progress. Testing of high pressure turbine blades coated with the program TBS systems is in progress in a TFE731 turbofan engine. Eddy current technology feasibility was established with respect to nondestructively measuring zirconia layer thickness of a TBC system.

Strangman, T. E.↗

Characterizing Aeroelastic Systems Using Eigenanalysis, Explicitly Retaining The Aerodynamic Degrees of Freedom

Discrete time aeroelastic models with explicitly retained aerodynamic modes have been generated employing a time marching vortex lattice aerodynamic model. This paper presents analytical results from eigenanalysis of these models. The potential of these models to calculate the behavior of modes that represent damped system motion (noncritical modes) in addition to the simple harmonic modes is explored. A typical section with only structural freedom in pitch is examined. The eigenvalues are examined and compared to experimental data. Issues regarding the convergence of the solution with regard to refining the aerodynamic discretization are investigated. Eigenvector behavior is examined; the eigenvector associated with a particular eigenvalue can be viewed as the set of modal participation factors for that particular mode. For the present formulation of the equations of motion, the vorticity for each aerodynamic element appears explicitly as an element of each eigenvector in addition to the structural dynamic generalized coordinates. Thus, modal participation of the aerodynamic degrees of freedom can be assessed in M addition to participation of structural degrees of freedom.

Heeg, Jennifer↗

NASA's Virtual Product Laboratory: An Overview

The Virtual Product Laboratory (VPL) developed by NASA's Commercial Remote Sensing Program at the John C. Stennis Space Center is a tool that enables simulation, design, and verification of remote sensing systems within a software (virtual) environment. The VPL can serve industry, government, and university communities by providing a means to conduct system trade studies, optimization, visual modeling, and data product simulations entirely in a virtual environment. The VPL can serve as a complete end-to-end simulation tool capable of producing system and subsystem performance characterizations, system optimization, and simulated data products or as a means of evaluating any one component of a remote sensing system. In this paper, we present an overview of the VPL capabilities. The VPL functional areas include Requirements, Design & Analysis, Simulation, Project Management, Knowledge Base, and Help. A description of each function along with the tools and techniques used to accomplish these functions will be provided. When possible, sample VPL displays and products will be used in the presentation.

Gasser, Jerry↗

Selection, Development and Results for The RESOLVE Regolith Volatiles Characterization Analytical System

The RESOLVE project requires an analytical system to identify and quantitate the volatiles released from a lunar drill core sample as it is crushed and heated to 150 C. The expected gases and their range of concentrations were used to assess Gas Chromatography (GC) and Mass Spectrometry (MS), along with specific analyzers for use on this potential lunar lander. The ability of these systems to accurately quantitate water and hydrogen in an unknown matrix led to the selection of a small MEMS commercial process GC for use in this project. The modification, development and testing of this instrument for the specific needs of the project is covered.

Lueck, Dale E.↗

Methods and Systems for Characterization of an Anomaly Using Infrared Flash Thermography

A method for characterizing an anomaly in a material comprises (a) extracting contrast data; (b) measuring a contrast evolution; (c) filtering the contrast evolution; (d) measuring a peak amplitude of the contrast evolution; (d) determining a diameter and a depth of the anomaly, and (e) repeating the step of determining the diameter and the depth of the anomaly until a change in the estimate of the depth is less than a set value. The step of determining the diameter and the depth of the anomaly comprises estimating the depth using a diameter constant C.sub.D equal to one for the first iteration of determining the diameter and the depth; estimating the diameter; and comparing the estimate of the depth of the anomaly after each iteration of estimating to the prior estimate of the depth to calculate the change in the estimate of the depth of the anomaly.

Koshti, Ajay M.↗