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Results for “Model based development”

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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Impedimetric investigation of gold nanoparticles - guanine modified electrode

In this paper we report the preparation of a modified electrode with gold nanoparticles and guanine. The colloidal suspension of gold nanoparticles was obtained by Turkevich method and was next analyzed by UV-Vis spectroscopy and Transmission Electron Microscopy (TEM). The gold electrode was modified by self-assembling the gold nanoparticles with guanine, the organic molecule playing also the role of linker. The electrochemical characteristics of the bare and modified electrode were investigated by Electrochemical Impedance Spectroscopy (EIS). A theoretical model was developed based on an electrical equivalent circuit which contain solution resistance (R{sub s}), charge transfer resistance (R{sub ct}), Warburg impedance (Z{sub W}) and double layer capacitance (C{sub dl})

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Progress in quantitative GPR development at CNDE

Ground penetrating radar (GPR) uses electromagnetic (EM) radiation pulses to locate and map embedded objects. Commercial GPR instruments are generally geared toward producing images showing the location and extent of buried objects, and often do not make full use of available absolute amplitude information. At the Center for Nondestructive Evaluation (CNDE) at Iowa State University efforts are underway to develop a more quantitative approach to GPR inspections in which absolute amplitudes and spectra of measured signals play a key role. Guided by analogous work in ultrasonic inspection, there are three main thrusts to the effort. These focus, respectively, on the development of tools for: (1) analyzing raw GPR data; (2) measuring the EM properties of soils and other embedding media; and (3) simulating GPR inspections. This paper reviews progress in each category. The ultimate goal of the work is to develop model-based simulation tools that can be used assess the usefulness of GPR for a given inspection scenario, to optimize inspection choices, and to determine inspection reliability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Tunable strong nonlinearity of a micromechanical beam embedded in a dc-superconducting quantum interference device

We present a study of the controllable nonlinear dynamics of a micromechanical beam coupled to a dc-SQUID (superconducting quantum interference device). The coupling between these systems places the modes of the beam in a highly nonlinear potential, whose shape can be altered by varying the bias current and applied flux of the SQUID. We detect the position of the beam by placing it in an optical cavity, which sets free the SQUID to be used solely for actuation. This enables us to probe the previously unexplored full parameter space of this device. We measure the frequency response of the beam and find that it displays a Duffing oscillator behavior which is periodic in the applied magnetic flux. To account for this, we develop a model based on the standard theory for SQUID dynamics. In addition, with the aim of understanding if the device can reach nonlinearity at the single phonon level, we use this model to show that the responsivity of the current circulating in the SQUID to the position of the beam can become divergent, with its magnitude limited only by noise. This suggests a direction for the generation of macroscopically distinguishable superposition states of the beam.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A model of interaction between anticorruption authority and corruption groups

The paper provides a model of interaction between anticorruption unit and corruption groups. The main policy functions of the anticorruption unit involve reducing corrupt practices in some entities through an optimal approach to resource allocation and effective anticorruption policy. We develop a model based on Markov decision-making process and use Howard’s policy-improvement algorithm for solving an optimal decision strategy. We examine the assumption that corruption groups retaliate against the anticorruption authority to protect themselves. This model was implemented through stochastic game.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Exchange magnon induced resistance asymmetry in permalloy spin-Hall oscillators

We investigate magnetization dynamics in a spin-Hall oscillator using a direct current measurement as well as conventional microwave spectrum analysis. When the current applies an anti-damping spin-transfer torque, we observe a change in resistance which we ascribe mainly to the excitation of incoherent exchange magnons. A simple model is developed based on the reduction of the effective saturation magnetization, quantitatively explaining the data. The observed phenomena highlight the importance of exchange magnons on the operation of spin-Hall oscillators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The kinetic origin of delayed yielding in metallic glasses

Recent experiments showed that irreversible structural change or plasticity could occur in metallic glasses (MGs) even within the apparent elastic limit after a sufficiently long waiting time. To explain this phenomenon, a stochastic shear transformation model is developed based on a unified rate theory to predict delayed yielding in MGs, which is validated afterwards through extensive atomistic simulations carried out on different MGs. On a fundamental level, an analytic framework is established in this work that links time, stress, and temperature altogether into a general yielding criterion for MGs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Investigation of carbon incorporation in laser-assisted MOCVD of GaN

Background carbon (C) impurity incorporation in metalorganic chemical vapor deposition (MOCVD) grown gallium nitride (GaN) represents one of the major issues in further improving GaN vertical power device performance. This work presents a laser-assisted MOCVD (LA-MOCVD) technique to address the high-C issue in MOCVD homoepitaxial GaN under different growth rate (Rg) regimes and studies the correlations between [C] and Rg. [C] in LA-MOCVD GaN is reduced by 50%–90% as compared to the conventional MOCVD GaN for a wide growth rate range between 1 and 16 μm/h. A mass-transport based model is developed to understand the C incorporation at different Rg regimes. The results obtained from the developed model are in good agreement with experimental data. The model further reveals that LA-MOCVD effectively suppresses C incorporation by reducing the active C species in the gas phase. Moreover, high step velocity in step flow growth mode can facilitate C incorporation at fast Rg, exhibiting steeper C increase. The theoretical model indicates that [C] can be suppressed below 1016 cm−3 with a fast growth rate (Rg) of 10 μm/h by utilizing higher power LA-MOCVD and freestanding GaN substrates with larger off-cut angles.

Physics↗
DOE OSTI2014

MO-E-17A-02: Incorporation of Contrast Medium Dynamics in Anthropomorphic Phantoms: The Advent of 5D XCAT Models

Purpose: To develop a unique method to incorporate the dynamics of contrast-medium propagation into the anthropomorphic phantom, to generate a five-dimensional (5D) patient model for multimodality imaging studies. Methods: A compartmental model of blood circulation network within the body was embodied into an extended cardiac-torso (4D-XCAT) patient model. To do so, a computational physiologic model of the human cardiovascular system was developed which includes a series of compartments representing heart, vessels, and organs. Patient-specific cardiac output and blood volume were used as inputs influenced by the weight, height, age, and gender of the patient's model. For a given injection protocol and given XCAT model, the contrast-medium transmission within the body was described by a series of mass balance differential equations, the solutions to which provided the contrast enhancement-time curves for each organ; thereby defining the tissue materials including the contrastmedium within the XCAT model. A library of time-dependent organ materials was then defined. Each organ in each voxelized 4D-XCAT phantom was assigned to a corresponding time-varying material to create the 5D-XCAT phantom in which the fifth dimension is blood/contrast-medium within the temporal domain. Results: The model effectively predicts the time-varying concentration behavior of various contrast-medium administration in each organ for different patient models as function of patient size (weight/height) and different injection protocol factors (injection rate and pattern, iodine concentration or volume). The contrast enhanced XCAT patient models was developed based on the concentration of iodine as a function of time after injection. Conclusion: Majority of medical imaging systems take advantage of contrast-medium administration in terms of better image quality, the effect of which was ignored in previous optimization studies. The study enables a comprehensive optimization of contrast administration both in terms of image quality and radiation dose, and can be used in different modalities such as CT, MRI, and ultrasound.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Modeling Water Electrolysis in Bipolar Membranes

Bipolar membranes (BPMs) have proven useful in numerous electrochemical energy conversion and storage applications, including fuel cells and electrolyzers. However, water dissociation in bipolar membrane electrolysis cells (BPMECs) is a complicated phenomenon that occurs via several different pathways. In this work, we develop a model based on the Poisson-Nernst-Planck system that includes a multistep water-dissociation mechanism to observe the fundamental processes that contribute to BPMEC performance. The model, which is validated to in-house experimental data, demonstrates that the junction potential is the most significant contributor to the total electrolysis voltage. We investigated the effects of water-dissociation catalysts and found that the optimal catalyst $p{K}_{a}$ depends on how the catalyst is integrated into the BPM (although values near 7 are typically best, in accordance with conventional wisdom). We also simulated the water content across the BPM and found that dry-out is not a significant issue when the membrane is in contact with liquid water on both sides. The species conservation approach taken here leads to a physical understanding of the system without using any fitting parameters.

25 ENERGY STORAGE↗
DOE OSTI2019

Modeling Coupled Durability and Performance in Polymer-Electrolyte Fuel Cells: Membrane Effects

During operation, proton-exchange-membrane fuel cells (PEMFCs) are subjected to mechanical and chemical stressors that contribute to membrane degradation, performance loss, and eventual failure. Together, synergistic effects between mechanical and chemical degradation mechanisms lead to accelerated degradation. A physics-based model is developed to understand the synergistic effects of chemical and mechanical degradation and the coupled nature of performance and durability in PEMFCs. The model includes pinhole existence and growth in the membrane, which increases crossover of reactant gases as well as subsequent formation of chemical degradation agents that impact both transport and mechanical properties of the membrane. The fuel-cell model is fully coupled with a mechanical model to determine the stresses on the membrane and subsequent growth of pinholes during transient operation. Simulation results demonstrate pinhole growth under relative-humidity cycling and the resultant increased gas-crossover fluxes and decrease in polarization performance. Furthermore, the model results highlight nonlinearities and the importance of coupling mechanical and chemical degradation models in order to explain membrane degradation under various cycles, and serves as a foundation for examining coupled durability and performance.

25 ENERGY STORAGE↗
DOE OSTI2015

Computer model for characterizing, screening, and optimizing electrolyte systems

Electrolyte systems in contemporary batteries are tasked with operating under increasing performance requirements. All battery operation is in some way tied to the electrolyte and how it interacts with various regions within the cell environment. Seeing the electrolyte plays a crucial role in battery performance and longevity, it is imperative that accurate, physics-based models be developed that will characterize key electrolyte properties while keeping pace with the increasing complexity of these liquid systems. Advanced models are needed since laboratory measurements require significant resources to carry out for even a modest experimental matrix. The Advanced Electrolyte Model (AEM) developed at the INL is a proven capability designed to explore molecular-to-macroscale level aspects of electrolyte behavior, and can be used to drastically reduce the time required to characterize and optimize electrolytes. Although it is applied most frequently to lithium-ion battery systems, it is general in its theory and can be used toward numerous other targets and intended applications. This capability is unique, powerful, relevant to present and future electrolyte development, and without peer. It redefines electrolyte modeling for highly-complex contemporary systems, wherein significant steps have been taken to capture the reality of electrolyte behavior in the electrochemical cell environment. This capability can have a very positive impact on accelerating domestic battery development to support aggressive vehicle and energy goals in the 21st century.

Gering, KevinL.↗
DOE OSTI2022

Planning decentralized urban renewable energy systems using algal cultivation for closed-loop and resilient communities

To tackle climate challenges, communities need to harvest renewable energy and resources on site locally to close the loops for enhancing the resilience of communities facing unpredictable and uncertain future changes. A decentralization planning of urban renewable energy systems is proposed by treating urban waste streams and producing biomass through applying algal biotechnology. When applying algal technology as a renewable and decentralized energy source in urban systems, the overall performance can vary by levels of urban nutrients, solar and CO 2 resources, and the transportation cost when considering its application to different urban densities, urban form, and the spatial scale of urban settings. This research explores three potential impacts on the algal system’s energy performance: (1) urban density, (2) urban form in different contexts, and (3) spatial scale. The research examines the impacts by testing urban settings given in actual contexts in Atlanta, Georgia, USA. Four neighborhoods representing the high-density urban, mid-density urban, mixed suburban, and typical suburban areas are investigated. The density-scale–performance relationships are explored through testing different urban forms of neighborhoods in both hypothetical and actual neighborhood settings. A GIS-based model is developed to estimate the overall energy performance of the decentralized renewable energy system in urban environments. Results show that the energy performance is positive mainly for high-density urban neighborhoods with small-to-medium scales, up to 0.36 MJ per ton of municipal solid wastes for actual settings and 0.37 MJ for hypothetical cases. Neighborhoods with higher density have higher energy performance while up scaling has negative effects on the energy performance with a low degree of significance. Optimal scales are found as a 1-km radius in real test beds and 1.3 km in hypothetical settings, in which the results show trade-offs between scaling effects in the system efficiency gain and the transportation cost increase.

Quan, Steven Jige↗
DOE OSTI2021

Light transport with weak angular dependence in fog

Random scattering and absorption of light by tiny particles in aerosols, like fog, reduce situational awareness and cause unacceptable down-time for critical systems or operations. Computationally efficient light transport models are desired for computational imaging to improve remote sensing capabilities in degraded optical environments. To this end, we have developed a model based on a weak angular dependence approximation to the Boltzmann or radiative transfer equation that appears to be applicable in both the moderate and highly scattering regimes, thereby covering the applicability domain of both the small angle and diffusion approximations. An analytic solution was derived and validated using experimental data acquired at the Sandia National Laboratory Fog Chamber facility. The evolution of the fog particle density and size distribution were measured and used to determine macroscopic absorption and scattering properties using Mie theory. A three-band (0.532, 1.55, and 9.68 µ m) transmissometer with lock-in amplifiers enabled changes in fog density of over an order of magnitude to be measured due to the increased transmission at higher wavelengths, covering both the moderate and highly scattering regimes. The meteorological optical range parameter is shown to be about 0.6 times the transport mean free path length, suggesting an improved physical interpretation of this parameter.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2012

Areas of Weakly Anomalous to Anomalous Surface Temperature in Routt County, Colorado, as Identified from ASTER Thermal Data

Note: This "Weakly Anomalous to Anomalous Surface Temperature" dataset differs from the "Anomalous Surface Temperature" dataset for this county (another remotely sensed CIRES product) by showing areas of modeled temperatures between 1o and 2o above the mean, as opposed to the greater than 2o temperatures contained in the "Anomalous Surface Temperature" dataset. This layer contains areas of anomalous surface temperature in Routt County identified from ASTER thermal data and spatial based insolation model. The temperature is calculated using the Emissivity Normalization Algorithm that separate temperature from emissivity. The incoming solar radiation was calculated using spatial based insolation model developed by Fu and Rich (1999). Then the temperature due to solar radiation was calculated using emissivity derived from ASTER data. The residual temperature, i.e. temperature due to solar radiation subtracted from ASTER temperature was used to identify thermally anomalous areas. Areas that had temperature between 1o and 2o were considered ASTER modeled warm surface exposures (thermal anomalies). Note: 'o' is used in this description to represent lowercase sigma.

15 GEOTHERMAL ENERGY↗