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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Dissolved Organic Carbon 14C in Southern Nevada Groundwater and Implications for Groundwater Travel Times

Dissolved inorganic carbon (DIC) carbon-14 ( 14 C) ages must be corrected for complex chemical and physical reactions and processes that change the amount of 14 C in groundwater as it flows from recharge to downgradient areas. Because of these reactions, DIC 14 C can produce unrealistically old ages and long groundwater travel times that may, or may not, agree with travel times estimated by other methods. Dissolved organic carbon (DOC) 14 C ages are often younger than DIC 14 C ages because there are few chemical reactions or physical processes that change the amount of DOC 14 C in groundwater. However, there are several issues that create uncertainty in DOC 14 C groundwater ages including limited knowledge of the initial (A 0 ) DOC 14 C in groundwater recharge and potential changes in DOC composition as water moves through an aquifer. This study examines these issues by quantifying A 0 DOC 14 C in recharge areas of southern Nevada groundwater flow systems and by evaluating changes in DOC composition as water flows from recharge areas to downgradient areas. The effect of these processes on DOC 14 C groundwater ages is evaluated and DOC and DIC 14 C ages are then compared along several southern Nevada groundwater flow paths. Twenty-seven groundwater samples were collected from springs and wells in southern Nevada in upgradient, midgradient, and downgradient locations. DOC 14 C for upgradient samples ranged from 96 to 120 percent modern carbon (pmc) with an average of 106 pmc, verifying modern DOC 14 C ages in recharge areas, which decreases uncertainty in DOC 14 C A 0 values, groundwater ages, and travel times. The HPLC spectra of groundwater along a flow path in the Spring Mountains show the same general pattern indicating that the DOC compound composition does not change along this flow path. Although DOC concentration decreases from recharge-area to downgradient groundwater, the organic compounds are similar, indicating that DOC 14 C is unaffected by other processes such as microbial degradation. A small amount of organic carbon was leached from crushed volcanic and carbonate aquifer outcrop rock in rock-leaching experiments. The leached DOC was high in 14 C (75 pmc carbonate rocks, 91 pmc volcanic) suggesting that the leached DOC likely came from microbes in the rock samples. The small amount of DOC and high 14 C indicates that the amount of old organic carbon in these rocks is low so there should be minimal impact on groundwater DOC 14 C ages. Based on the results from this study, DOC 14 C ages do not require additional corrections. Several correction models were applied to DIC 14 C ages to correct for water-rock reactions along two carbonate and two volcanic flow paths and the corresponding travel times were compare to DOC 14 C travel times. The DOC 14 C travel times were hundreds to thousands of years shorter than uncorrected and corrected DIC 14 C travel times except for the upper section of one carbonate flow path. DOC 14 C travel times ranged from 400 to 5,400 years as compared to DIC 14 C that ranged from modern to 20,900 years. The DIC 14 C ages are greatly influenced by carbonate mineral and gas reactions and other processes such as matrix diffusion, isotope exchange, or adsorption, which are not always adequately accounted for in DIC 14 C groundwater age correction models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Biogas reforming over Ni catalysts dispersed in different mixed oxides containing Zn2+, Al3+ and Zr4+cations

Highlights: • The oxides mixture containing NiO, ZnO, Al{sub 2}O{sub 3}, NiAl{sub 2}O{sub 4} and ZnAl{sub 2}O{sub 4} was detected. • The results exhibited intermediate interactions between Ni0 and other phases. • Dry reforming of methane was applied to production of synthesis gas. • Deposition of the carbon filamentous on the catalysts surface was observed. - Abstract: The active phase plays an important role in the catalytic activity. However, its applicability is directly associated with other present phases in the mixture. In view of this, we report the performance of Ni catalysts dispersed on mixed oxides containing Zn{sup 2+}, Al{sup 3+} and Zr{sup 4+}cations in biogas reforming. For this purpose, the samples were characterized by X-ray powder diffraction, which showed the formation of a homogeneous mixture of binary (NiO, ZnO, ZrO{sub 2} and Al{sub 2}O{sub 3}) and ternary (NiAl{sub 2}O{sub 4} and ZnAl{sub 2}O{sub 4}) oxides. The temperature-programmed reduction (H{sub 2}-TPR) provided information on the catalyst reduction. The performance of the catalysts was evaluated using two reduction temperatures (650 °C and 750 °C). The reactions were carried out at 750 °C, where the Ni/ZnAlZr catalyst presented the highest CO{sub 2} conversion attributed to the basic sites, which favored the CO{sub 2} adsorption. Otherwise, the Ni/ZnZr catalyst (reduced at 650 °C) showed a high CH{sub 4} conversion. The catalysts were also reduced at 750 °C and a lower conversion of both reactants (CH{sub 4} and CO{sub 2}) was observed. We argued that the agglomeration process during the reduction condition deteriorates the performance of the catalysts reduced at 750 °C.

09 BIOMASS FUELS↗
DOE OSTI2019

Microwave catalytic reactor for upgrading stranded shale gas to aromatics

Microwave (MW) catalytic processing has been applied to science discovery in a number of research fields. The potential of MW assisted catalysis in direct ethane dehydroaromatization was explored in this study. Under MW irradiation, significant enhancement in ethane conversion to aromatics was achieved at 400 °C which otherwise would take up to 600 °C in a thermally heated fixed-bed reactor. The role of MW irradiation in activating ethane over the catalyst and the reaction mechanism were elucidated. The results showed that MW could possibly induce the formation of dipoles on catalyst surface, facilitating electron shifting and sharing between catalyst and reaction intermediates. Here, this activation process has significantly lowered activation energy, allowing the reaction to proceed under lower bulk temperature with enhanced aromatic yield.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Nuclear recoil scintillation linearity of a high pressure 4 He gas detector

We investigate scintillation linearity of a commercial high pressure 4 He gas detector using monoenergetic 2.8 MeV neutrons from a deuterium-deuterium fusion neutron generator. The scintillation response of the detector was measured for a range of recoil energies between 83 keV and 626 keV by tagging neutrons scattering into fixed angles with a far-side organic scintillator detector. Detailed Monte Carlo simulations were compared to experimental data to determine the linearity of the detector response by comparing the scaling of the energy deposits in the simulations to the detector output. In this analysis, a linear scintillation response corresponds to a consistent value for the scaling factor between simulated energy deposits and experimental data for several different scattering angles. Here we demonstrate that the detector can be used to detect fast neutron interactions down to 83 keV recoil energies and can be used to characterize low-energy neutron sources, one of its potential applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Techno-economic evaluation of a process for direct conversion of methane to aromatics

Natural gas is widely abundant and relatively inexpensive. As such, large quantities are flared every year. This presents an opportunity to use natural gas as a chemical feedstock. Non-oxidative dehydroaromatization of methane, the major component of natural gas is proposed as an option to monetize natural gas. This study evaluates the economics of the methane to benzene process. A catalytic membrane reactor model written in MATLAB has been directly implemented in an Aspen Plus V9 process model using CAPE-OPEN interoperability. Minimum utility requirements and heat exchanger designs were identified in Aspen Energy Analyzer, and process economics for a variety of feed and product prices were assessed using Aspen Process Economic Analyzer. The results indicate that the venture is profitable (profitability index of 1.17, IRR of 35.5%, NRR of 18.2%). The capital cost was found to be $35,500 per daily standard barrel of benzene. Additionally, the process remains economically attractive so long as either the price of benzene remains above $470/ton, or the price of hydrogen remains above $0.8/kg.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

High Voltage Insulation and Gas Absorption of Polymers in High Pressure Argon and Xenon Gases

This work advances the development of the high-pressure xenon gas Time projection Chamber (TPC) concept in the search for neutrino-less double beta decay in Xenon136, a promising isotopic candidate. In particular, this work advances the use of electroluminescence (EL) as a nearly noiseless gain mechanism that preserves energy resolution in measurement of the visible energy in the decay—the two emitted electrons. Energy resolution of ~1% FWHM at the Q-value of the decay, 2458 kEV, allows complete separation of the much more copious 2-neutrino mode. The goal is to realize the EL mechanism in a very large parallel plane, nearly optically transparent mesh geometry, on the order of one meter diameter. Additional effort by collaborators at Argonne National Laboratory provide design solutions for the electrostatic boundary conditions of the active volume of the TPC. Solutions for the large mesh have been found in either electroformed grids or a more conventional woven mesh made from stainless steel wire. Posts to maintain approximate planarity are needed to minimize electrostatic deflection. The work has shown that these posts are feasible with certain plastics that can support the high electric field with out discharges.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Life Cycle Greenhouse Gas Emissions of Biogas Upgrading for Fuel Production

Waste-to-Renewable Natural Gas (RNG) offers a promising solution to alleviating waste management challenges by converting waste into renewable fuels. Here, this process can significantly reduce greenhouse gas (GHG) emissions, as demonstrated through a comprehensive life cycle analysis. Biogas upgrading is essential to enhance the methane concentration, though it could be energy-intensive and susceptible to methane slippage. Four commonly adopted biogas upgrading technologies, including pressure swing adsorption, membrane separation, chemical absorption, and water scrubbing, are considered. Our study evaluates the life cycle GHG emissions of RNG production from major sources of waste in the U.S. including wastewater sludge, food waste, landfill gas, dairy cow manure, and swine manure. Meta-analysis was conducted to assess methane slippage and energy consumption of biogas upgrading and associated GHG emissions, while accounting for potential avoided emissions from conventional waste management, which vary widely (ranging from −481.0 to 101.8 g CO 2 -eq/MJ). Under default upstream assumptions, representative carbon intensity of RNG varies from about −125 g of CO 2 -eq/MJ (dairy cow manure) to about 41 g of CO 2 -eq/MJ (wastewater sludge). We also explored RNG applications in producing hydrogen, ammonia, and compressed/liquefied forms. These findings highlight the potential of RNG and RNG-derived fuels to reduce GHG emissions and bolster the U.S. energy supply.

Biogas upgrades↗
DOE OSTI2024

Co-treating flue gas desulfurized effluent and produced water enables novel waste management and recovery of critical minerals

Herein this study reports a novel approach of resource recovery from co-managing two geographically co-located and chemically complementary wastewaters using a pilot-scale treatment process. Designed to treat flue gas desulfurized (FGD) effluent from combustion powerplants and produced water (PW) from energy industries, the process consists of soda-ash softening, nanofiltration (NF), and reverse osmosis (RO). Recovered products are barite, calcite, and low-salinity water. Using field-collected waters, the results show that softening at pH 8.5 produces calcite (yield: 30 kg/m 3 treated water), a chemical used as SO ₂(g) scrubbers. NF treatment under an applied pressure of 3.5 MPa yields a permeate stream laden with monovalent ions (water recovery 60%) and a concentrate stream with a sulfate concentration 1.8 times of the feedwater concentration. Mixing the NF concentrate and PW at a volumetric ratio of 1.0 precipitates a high-density barite material (4.1 g/cm 3 , yield: ~7.5 kg/m 3 mixture) – a critical mineral commonly used as a weighting agent in drilling. The RO treatment recovers >64% water as the permeate, which can be readily used as cooling make-up water at the powerplants. The RO concentrate stream can be further processed in a thermal evaporative system for additional water recovery and brine production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Effect of Low-Temperature Sensitization on the Corrosion Behavior of AISI Type 304L SS Weld Metal in Simulated Groundwater

The manuscript presents the investigations carried out on the effect of low-temperature sensitization (LTS) of 304L SS weld metal on its corrosion behavior in simulated groundwater, for its application as a canister material for long-term storage of nuclear vitrified high-level waste in geological repositories. AISI type 304L SS weld pad was fabricated by multipass gas tungsten arc welding process using 308L SS filler wire. The as-welded specimens were subsequently subjected to carbide nucleation and further to LTS at 500 °C for 11 days to simulate a temperature of 300 °C for 100-year life of the canister in geological repositories. Delta ferrite (δ-ferrite) content of the 304L SS weld metal substantially decreased on carbide nucleation treatment and further only a marginal decrease occurred on LTS treatment. The microstructure of the as-welded consisted of δ-ferrite as a minor phase distributed in austenite matrix. The δ-ferrite appeared fragmented in the carbide-nucleated and LTS-treated weld metal. The degree of sensitization measured by double-loop electrochemical potentokinetic reactivation method indicated an increase in carbide nucleation treatment when compared to the as-welded specimens, and further increase occurred on LTS treatment. Potentiodynamic anodic polarization investigations in simulated groundwater indicated a substantial decrease in the localized corrosion resistance of the carbide-nucleated and LTS 304L SS weld metals, when compared to the as-welded specimens. Post-experimental micrographs indicated pitting as the primary mode of attack in the as-welded, while pitting and intergranular corrosion (IGC) occurred in the carbide-nucleated weld metal. LTS-treated weld metal predominantly underwent IGC attack. The decrease in the localized corrosion resistance of the weld metal after LTS treatment was found to have a direct correlation with the degree of sensitization and the weld microstructure. The results are detailed in the manuscript.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The NEXT White (NEW) detector

Conceived to host 5 kg of xenon at a pressure of 15 bar in the fiducial volume, the NEXT-White apparatus is currently the largest high pressure xenon gas TPC using electroluminescent amplification in the world. It is also a 1:2 scale model of the NEXT-100 detector for 136 Xe ββ0ν decay searches, scheduled to start operations in 2019. Both detectors measure the energy of the event using a plane of photomultipliers located behind a transparent cathode. They can also reconstruct the trajectories of charged tracks in the dense gas of the TPC with the help of a plane of silicon photomultipliers located behind the anode. A sophisticated gas system, common to both detectors, allows the high gas purity needed to guarantee a long electron lifetime. NEXT-White has been operating since October 2016 at the Laboratorio Subterraneo de Canfranc (LSC), in Spain. This paper describes the detector and associated infrastructures, as well as the main aspects of its initial operation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Eliminating Signal Bias Caused by Vacuum System Backstreaming in the Diagnostic Residual Gas Analyzer of ITER

In fusion neutral gas analysis, such as with the Diagnostic Residual Gas Analyzer (DRGA) for ITER, the primary measurement range of interest comprises the low-amu species (1 to 6), especially deuterium and helium. The challenge in successfully obtaining accurate measurements is two-fold. First, the sensitivity of the method must be sufficient to resolve trace amounts accurately; typically, one percent or less. Second, the gas signal from the fusion processes must be free of bias caused by the latent presence (from system outgassing and/or vacuum backstreaming) of these gases to enable accurate interpretation of the measured signal. This latter criterion can be problematic for the lightest gases since there is a propensity for some fraction of the pumped gas load to undergo a phenomenon known as backstreaming. This behavior is manifested in pumping systems for gas properties related to relative atomic weight (lightest) and size (smallest). Backstreaming results in a significant amount of the pumped gas undertaking a reverse flow and re-entering the measurement region; thus, contaminating the forward, real-time measurement. To fully eliminate this adverse effect, a conductance-limiting device – or orifice – has been installed in the high-vacuum pumping system of the present ITER DRGA prototype. The system was already equipped with a secondary turbomolecular pump (TMP), but with limited effectiveness against backstreaming in the inter-pump volume (IPV). This orifice is placed within the suction inlet coupling of the secondary TMP, which is downstream of the IPV. Its objective is to eliminate the backstreaming phenomenon by increasing the back pressure in the IPV. However, the orifice sizing must take into consideration other factors, such as the diagnostic measurement objectives. For example, in the ITER DRGA, one of the measurement requirements is a dynamic response time of ~1s. Fortunately, an added benefit of the pumping restriction created by the orifice is that the upstream pressure increase is beneficial for the DRGA’s optical gas analysis (OGA) sensors. These sensors are attached to the IPV in the present design. The glow discharges, when used as an OGA light source, will typically have a brighter light emission with increasing plasma cell pressure. In addition to the fusion machine research sector, there are other potential applications of this pumping technique where the monitoring of lighter gas concentrations is essential, such as the photolithography process for the semiconductor fabrication of integrated circuits. This presentation will describe the vacuum system used to demonstrate a process to eliminate backstreaming as well as show test results to verify the accomplishment of this critical objective.

Marcus, Chris↗
DOE OSTI2023

Pynta-An Automated Workflow for Calculation of Surface and Gas-Surface Kinetics

Many important industrial processes rely on heterogeneous catalytic systems. However, given all possible catalysts and conditions of interest, it is impractical to optimize most systems experimentally. Automatically generated microkinetic models can be used to efficiently consider many catalysts and conditions. However, these microkinetic models require accurate estimation of many thermochemical and kinetic parameters. Manually calculating these parameters is tedious and error prone, involving many interconnected computations. Here, we present Pynta, a workflow software for automating the calculation of surface and gas–surface reactions. Pynta takes the reactants, products, and atom maps for the reactions of interest, generates sets of initial guesses for all species and saddle points, runs all optimizations, frequency, and IRC calculations, and computes the associated thermochemistry and rate coefficients. It is able to consider all unique adsorption configurations for both adsorbates and saddle points, allowing it to handle high index surfaces and bidentate species. Pynta implements a new saddle point guess generation method called harmonically forced saddle point searching (HFSP). HFSP defines harmonic potentials based on the optimized adsorbate geometries and which bonds are breaking and forming that allow initial placements to be optimized using the GFN1-xTB semiempirical method to create reliable saddle point guesses. This method is reaction class agnostic and fast, allowing Pynta to consider all possible adsorbate site placements efficiently. We demonstrate Pynta on 11 diverse reactions involving monodenate, bidentate, and gas-phase species, many distinct reaction classes, and both a low and a high index facet of Cu. Our results suggest that it is very important to consider reactions between adsorbates adsorbed in all unique configurations for interadsorbate group transfers and reactions on high index surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

An improved algorithm of image processing technique for film thickness measurement in a horizontal stratified gas-liquid two-phase flow

Due to the importance of the two-phase flow researches for the industrial safety analysis, many researchers developed various methods and techniques to study the two-phase flow phenomena on the industrial cases, such as in the chemical, petroleum and nuclear industries cases. One of the developing methods and techniques is image processing technique. This technique is widely used in the two-phase flow researches due to the non-intrusive capability to process a lot of visualization data which are contain many complexities. Moreover, this technique allows to capture direct-visual information data of the flow which are difficult to be captured by other methods and techniques. The main objective of this paper is to present an improved algorithm of image processing technique from the preceding algorithm for the stratified flow cases. The present algorithm can measure the film thickness (h{sub L}) of stratified flow as well as the geometrical properties of the interfacial waves with lower processing time and random-access memory (RAM) usage than the preceding algorithm. Also, the measurement results are aimed to develop a high quality database of stratified flow which is scanty. In the present work, the measurement results had a satisfactory agreement with the previous works.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Design Optimization of Liquid Fueled High Velocity Oxy- Fuel Thermal Spraying Technique for Durable Coating for Fossil Power Systems

High-velocity oxy–fuel (HVOF) thermal spraying was developed in 1930 and has been commercially available for twenty-five years. HVOF thermal spraying has several benefits over the more conventional plasma spray technique including a faster deposition rate which leads to quicker turn-around, with more durable coatings and higher bond strength, hardness and wear resistance due to a homogeneous distribution of the sprayed particles. HVOF thermal spraying is frequently used in engineering to deposit cermets, metallic alloys, composites and polymers, to enhance product life and performance. HVOF thermal spraying system is a highly promising technique for applying durable coatings on structural materials for corrosive and high temperature environments in advanced ultra-supercritical coal- fired (AUSC) boilers, steam turbines and gas turbines. HVOF thermal spraying is the preferred method for producing coatings with low porosity and high adhesion. HVOF thermal spray process has been shown to be one of the most efficient techniques to deposit high performance coatings at moderate cost. Variables affecting the deposit formation and coating properties include hardware characteristics such as nozzle geometry and spraying distance and process parameters such as equivalence ratio, gas flow density, and powder feedstock. In the spray process, the powder particles experience very high speeds combined with fast heating to the powder material melting point or above. This high temperature causes evaporation of the powder, dissolution, and phase transformations. Due to the complex nature of the HVOF technique, the control and optimization of the process is difficult. In general, good coating quality with suitable properties and required performance for specific applications is the goal in producing thermal spray coatings. In order to reach this goal, a deeper understanding of the spray process as a whole is needed. Although many researchers studied commercial HVOF thermal spray systems, there exists a lack of fundamental understanding of the effect of hardware characteristics and operating parameters on HVOF thermally sprayed coatings. Motivated by these issues, this study is devoted to investigate the effect of hardware characteristics (e.g. spraying distance) and operating parameters (e.g. combustion chamber pressure, equivalence ratio, and total gas flow rate) on HVOF sprayed coatings using Inconel 718 alloy. The current study provides extensive understanding of several key operating and process parameters to optimize the next generation of HVOF thermally sprayed coatings for high temperature and harsh environment applications. A facility was developed to support this endeavor in a safe and efficient way, including a HVOF thermal spray system with a Data Acquisition and Remote Controls system (DARCS). The coatings microstructure and morphology were examined using X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM) and Nanoindentation.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2018

Maximum Potential Hydrogen Gas Retention in the sRF Resin Ion Exchange Column for the LAWPS Process

The Low-Activity Waste Pretreatment System (LAWPS) is being developed to provide treated supernatant liquid from the Hanford tank farms directly to the Low-Activity Waste (LAW) Vitrification Facility at the Hanford Tank Waste Treatment and Immobilization Plant. The design and development of the LAWPS is being conducted by Washington River Protection Solutions, LLC. A key process in LAWPS is the removal of radioactive Cs in ion exchange (IX) columns filled with spherical resorcinol-formaldehyde (sRF) resin. One accident scenario being evaluated is the loss of liquid flow through the sRF resin bed after it has been loaded with radioactive Cs and hydrogen gas is being generated by radiolysis. In normal operations, the generated hydrogen is expected to remain dissolved in the liquid and be continuously removed by liquid flow. For an accident scenario with a loss of flow, hydrogen gas can be retained within the IX column both in the sRF resin and below the bottom screen that supports the resin within the column. The purpose of this report is to summarize calculations that estimate the upper-bound volume of hydrogen gas that can be retained in the column and potentially be released to the headspace of the IX column or to process equipment connected to the IX column and, thus, pose a flammability hazard.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Role of Redox-Inactive Transition-Metals in the Behavior of Cation-Disordered Rocksalt Cathodes

Owing to the capacity boost from oxygen redox activities, Li-rich cation-disordered rocksalts (LRCDRS) represent a new class of promising high-energy Li-ion battery cathode materials. Redox-inactive transition-metal (TM) cations, typically d 0 TM, are essential in the formation of rocksalt phases, however, their role in electrochemical performance and cathode stability is largely unknown. In the present study, the effect of two d 0 TM (Nb 5+ and Ti 4+ ) is systematically compared on the redox chemistry of Mn-based model LRCDRS cathodes, namely Li 1.3 Nb 0.3 Mn 0.4 O 2 (LNMO), Li 1.25 Nb 0.15 Ti 0.2 Mn 0.4 O 2 (LNTMO), and Li 1.2 Ti 0.4 Mn 0.4 O 2 (LTMO). Although electrochemically inactive, d 0 TM serves as a modulator for oxygen redox, with Nb 5+ significantly enhancing initial charge storage contribution from oxygen redox. Further studies using differential electrochemical mass spectroscopy and resonant inelastic X-ray scattering reveal that Ti 4+ is better in stabilizing the oxidized oxygen anions (O n- , 0 < n < 2), leading to a more reversible O redox process with less oxygen gas release. As a result, much improved chemical, structural and cycling stabilities are achieved on LTMO. Detailed evaluation on the effect of d 0 TM on degradation mechanism further suggests that proper design of redox-inactive TM cations provides an important avenue to balanced capacity and stability in this newer class of cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2018

Equilibration and Diffusion for a Dynamical Lorentz Gas

We consider a model of a dynamical Lorentz gaz: a single particle is moving in ℝ{sup d} through an array of fixed and soft scatterers each possessing an internal degree of freedom coupled to the particle. Assuming the initial velocity is sufficiently high and modelling the parameters of the scatterers as random variables, we describe the evolution of the kinetic energy of the particle by a Markov chain for which each step corresponds to a collision. We show that the momentum distribution of the particle approaches a Maxwell–Boltzmann distribution with effective temperature T such that k{sub B}T corresponds to an average of the scatterers’ kinetic energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗