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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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Mathematical modeling of high and low temperature heat pipes

Following a review of heat and mass transfer theory relevant to heat pipe performance, math models are developed for calculating heat-transfer limitations of high-temperature heat pipes and heat-transfer limitations and temperature gradient of low temperature heat pipes. Calculated results are compared with the available experimental data from various sources to increase confidence in the present math models. Complete listings of two computer programs for high- and low-temperature heat pipes respectively are included. These programs enable the performance to be predicted of heat pipes with wrapped-screen, rectangular-groove, or screen-covered rectangular-groove wick.

Chi, S. W.↗

Thermal scale modeling of radiation-conduction-convection systems.

Investigation of thermal scale modeling applied to radiation-conduction-convection systems with particular emphasis on the spacecraft cabin atmosphere/cabin wall thermal interface. The 'modified material preservation,' 'temperature preservation,' 'scaling compromises,' and 'Nusselt number preservation' scale modeling techniques and their inherent limitations and problem areas are described. The compromised scaling techniques of mass flux preservation and heat transfer coefficient preservation show promise of giving adequate thermal similitude while preserving both gas and temperature in the scale model. The use of these compromised scaling techniques was experimentally demonstrated in tests of full scale and 1/4 scale models. Correlation of test results for free and forced convection under various test conditions shows the effectiveness of these scaling techniques. It is concluded that either mass flux or heat transfer coefficient preservation may result in adequate thermal similitude depending on the system to be modeled. Heat transfer coefficient preservation should give good thermal similitude for manned spacecraft scale modeling applications.

Shannon, R. L.↗

Gneiss-charnockite transformation at Kottavattam, Southern Kerala (India)

At Kottavattam, leucocratic granitic garnet-biotite gneisses (age less than 2 Ga) were partially transformed to coarse-grained charnockite along a system of conjugate fractures (N70E and N20W) and the foliation planes (N60 to 80W; dip 80 to 90 SW) about 550 m.y. ago. To examine and quantify changes in fabric, mineralogy, pore fluids and chemical composition associated with this process, large rock specimens showing gneiss-charnockite transition were studied in detail. The results of the present study corroborate the concept that charnockite formation at Kottavattam is an internally-generated phenomenon and was not triggered by the influx of carbonic fluids from a deep-seated source. It is suggested that charnockitization was caused by the following mechanism: (1) near-isothermal decompression during uplift of the gneiss complex led to an increase of the pore fluid pressure (P sub fluid greater than P sub lith) which - in a regime of anisotropic stress - triggered or at least promoted the development of conjugate fractures; (2) the simultaneous release of pore fluids from bursting fluid inclusions and their escape into the developing fracture system resulted in a drop of fluid pressure; and (3) the internal generation and buffering of the fluids and their, probably, limited migration in an entirely granitic rock system explains the absence of any significant metasomatic mass transfer.

Raith, M.↗

Differential Gene Expression in A Cross-Feeding Two-Species Model Microbial Community Under Simulated Microgravity and Deep-Space Radiation

A long-term goal of space biology is to understand interspecies microbial interactions in space. Presently, little is known about the combined effect of microgravity and ionizing radiation on bacterial community response when species are interdependent through exchange of metabolites in fluid medium (cross-feeding). Microgravity is expected to slow interspecies mass transfer and growth in cross-feeding communities in the low-shear, diffusion-limited environment, while ionizing radiation may influence stress response to direct (DNA damage) and indirect damage (ROS). Using a well-understood, two-species (Escherichia coli and Salmonella enterica) microbial community engineered to be a model for studying cross-feeding, we simulated galactic cosmic rays (GCRsim) and microgravity to test the hypothesis: exposure to ionizing radiation causes cell damage or stress, altering transcriptomic community responses in metabolically interdependent cells, which is exacerbated by microgravity. We expect to see differential gene expression between cross-feeding and non-cross-feeding communities. We measured GCRsim effects on growth and gene expression in well-mixed versus simulated-microgravity conditions and in cross-feeding and non-cross-feeding medium. Microbial cultures were inoculated into liquid medium in rotating wall vessels (RWV) with different rotation rates: 5 RPM (simulated microgravity) and 50 RPM (well-mixed). The E. coli-S. enterica consortium, under simulated microgravity, were exposed to 500 mGy of Simplified 5-ion Galactic Cosmic Ray Simulation for 2 hours at Brookhaven National Lab. We harvested samples 40 minutes after irradiation for extraction and sequencing (NASA GeneLab). Here we present the differential gene expression analysis results, which reveal altered transcriptomic community responses, even where growth rate differences are not observed. Gene expression of these actively metabolizing microbial communities in GCRsim may illuminate molecular mechanisms of microbial interactions in space. Understanding how microbial community gene expression, metabolism, and other cellular processes are influenced by spaceflight stressors can inform the use of microbes in human life support for low Earth orbit missions and beyond.

microgravity↗

EXOSAT guest observer program. Binary parameters of the X-ray Pulsar 4U1626-67

The pulsing X-ray source 4U1626-67 is an accreting neutron star in a binary system with a very low mass companion. The source was observed with EXOSAT continuously for 23 hr on 30 to 31 March 1986 UT. These observations allowed the setting of a stringent upper limit on the projected semimajor axis of the orbit of the neutron star of approx. 10 light msec for the 2485-s orbital period found by Middleditch et al., and a limit of approx. 13 light msec for any other plausible orbital period. The corresponding upper limit on the mass function for the 2485-s orbital period is 1.3 x 0.000001 solar mass. It was concluded that if the orbital inclination angle, i, equals 90 deg, then the optical companion star has a mass greater than 0.02 solar mass. However, it was found that a companion star mass greater than 0.06 solar mass is required if gravitational radiation is responsible for driving the mass transfer in this system. Only for i less than 16 deg can a companion star mass this large be accommodated by the limits set on the orbital amplitude. Also presented are results on the flaring activity in 4U1626-67 on time scales of approx. 1000 s, the energy dependent pulse profiles, and the pulse period history over the past decade.

Mcclintock, Jeffrey E.↗

Mass transfer coefficients, kL, and air-CO2 ingassing rates in 3.4 m2 and 1-acre raceway ponds.

The US DOE 2016 Billion Ton Update (Langholtz 2016) projected that CO2 in flue-gas from power plants or similar sources would limit U.S. algal biofuel potential to under 5 billion gallons gasoline equivalent (gge) per year, due to lack of sufficient land, water and other requirements near such flue gas sources. 2nd generation carbon capture technologies are proposed to overcome this constraint (Davis 2017), and could expand this resource potential nearly 10-fold, assuming CO2 costs near the future, 2025 DOE NETL, goal of $40/metric ton CO2. An alternative pathway is the direct uptake of air CO2 into the algal ponds through an increase in the air-CO2 transfer rate resulting from the reaction of CO2 with hydroxide ions. However, such a ‘chemical enhancement’ in mass transfer depends on a high pH in the culture, and, by extension, the ability of microalgae to maintain high rates of carbon assimilation under such conditions. Abiotic experiments characterized the air-CO2 mass-transfer rate in 1-acre and 3.4 m2 raceway ponds as a function of pH, with rates approaching 10 g C/m2-day at pH 12 in the brackish water tested, equivalent to a biomass productivity potential of near 20 g AFDW/m2-day (@ 0.47 g C/g AFDW). The mass transfer rate was found to be nearly independent of the mass-transfer coefficient, indicating that at turbulence levels achievable in typical raceway ponds, the system is reaction rate, rather than diffusion limited. In biotic trials with an unknown green microalga, biomass productivity in ponds receiving CO2 from only direct surface air-CO2 exchange averaged 5 +/- 0.5 g AFDW/m2-day in August - September central California conditions, about half-that of experimental controls fertilized with supplemental CO2. pH in the air-only treatment reached a maximum of 10.5, supporting a model predicted air-CO2 ingassing rate between 2-3 g C/m2-day, consistent with the observed biomass carbon assimilation rate. Results suggest that unique alkaliphilic strains are required if reliant on direct in-pond air-CO2 transfer for algal inorganic carbon supply, and that reaching an economically viable biomass productivity will require strains that thrive at pH 11 and above.

09 BIOMASS FUELS↗

Structural sizing considerations for large space platforms

Structural optimization studies are made using mathematical programming techniques to examine minimum mass structural proportions of deployable and erectable tetrahedral truss platforms subject to the integrated effects of practical design requirements. Considerations integrated into the optimization process are: 1) lowest natural frequencies of the platform and individual platform components (struts); 2) packaging constraints imposed by the Shuttle cargo bay capacity; 3) initial curvature of the struts; 4) column buckling of the struts due to gravity gradient, orbital transfer, strut length tolerance, or design loads; and 5) practical lower limits for strut diameter and wall thickness. Ultra-low mass designs are shown to be possible with strut proportions much more slender than those conventionally used for earthbound application.

Heard, W. L., Jr.↗

Magnetopause Kelvin-Helmholtz instability

The Kelvin-Helmholtz instability as it applies to the dayside magnetopause is reviewed. Simple theory suggests the boundary should generally be unstable to waves moving at a large angle to the Earth's field. Nonlinear effects, how amplitudes might be limited, and what dynamic role the instability could have in boundary regions in stimulating mass and momentum transfer are discussed. Examination of data from a particular ISEE spacecraft pass shows relatively small amplitude (750 km) waves present on the boundary. Corresponding wavelength estimates show wave momentum is not significant at the time of the pass.

Southwood, D. J.↗

SmallSat missions enabled by paired low-thrust hybrid rocket and low-power long-life Hall thruster

The capabilities of a SmallSat-class spacecraft targeting the outer solar system and using a combined chemical and electric propulsion system are explored. The development of compact hybrid rockets has enabled high-thrust engines to be packaged tightly enough to fit on cubesat and SmallSat spacecraft. These hybrid rockets provide 10’s-100 N of thrust depending on the propellant load & >300 s of specific impulse and have been demonstrated in both ambient and vacuum environments. Advancements in low-power long-life Hall thruster technologies have provided the potential for significantly greater propellant throughputs, enabling their use as a primary propulsion element on interplanetary spacecraft. In a recent characterization test campaign, the MaSMi-DM Hall thruster demonstrated power throttling from 150 – 1000 W with >1500 s of specific impulse available at >500 W and >40% total thrust efficiency available at >300 W; peak values of 1940 s and 53% were observed. A notional low-mass spacecraft employing a combined hybrid rocket and low-power electric propulsion system was designed and used for mission concept analysis targeting the outer solar system. Using an imposed wet mass limit of 400 kg, mission trajectories to Saturn and Uranus were generated. Orbit capture with >40% of the launch mass was shown to be possible at either target, with mission transfer times of 7.5 years and 13.5 years for Saturn and Uranus, respectively. Significant follow-on mission activities near Saturn (e.g. to Titan & Enceladus) were also possible by carrying extra propellant mass while remaining under the total wet mass limit.

Karp, Ashley C.↗

Kinetic model describing self-limiting CO 2 diffusion in supported amine adsorbents

A reaction–diffusion shrinking core model describing the decay in diffusivity of supported amine sorbents upon CO 2 sorption under both simulated direct air capture and point source capture conditions is described. The decay in CO 2 diffusivity is associated with crosslinking in the aminopolymer samples and general pore blockage in the amino-silane derived samples, which occurs as CO 2 is adsorbed. The model is used to extract four kinetic parameters that govern the CO 2 uptake kinetics and working capacity: an apparent reaction rate constant, an initial effective diffusivity, and two dimensionless decay parameters. Ideally, an initially reaction limited system would allow for direct determination of the intrinsic reaction rate constant; however, sorption experiments suggest mass transfer resistances related to gas mixing, external boundary layers and intraparticle diffusion are present. Reaction rate constants are determined and agree well with theoretical values predicted with the Eyring equation parameterized using density functional theory energies from literature sources. The kinetic performance is expressed as the average effective diffusivity as a function of average conversion, which can be correlated to the dispersion of sorption sites on the support and the morphology of the active sorbent phase. Four supports are impregnated or grafted with amines, SBA-15, single-walled zeolite nanotubes (ZNT), Syloid SiO 2 , and γ-Al 2 O 3 . Due to its pore structure, γ-Al 2 O 3 supported amines can be modeled at the μm scale or at the nm scale, where the shell balance is on the μm-sized macroporous particle aggregate or on the nm-sized amine film on the surface of the Al 2 O 3 nanoparticles, which comprise the spherical particle aggregates. Faster diffusion rates are maintained under 400 ppm rather than 10% CO 2 due to a slower reaction rate giving a slower decay in diffusivity. In conclusion, this work provides a first principles kinetic analysis of CO 2 sorption where previous models are semi-empirical and use arbitrary kinetic parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In situ , in vivo , and in operando imaging and spectroscopy of liquids using microfluidics in vacuum

This review offers a succinct overview of the development of a vacuum-compatible microfluidic reactor system for analysis at the liquid vacuum interface (SALVI), and its diverse applications in in situ, in vivo, and in operando imaging of liquid surfaces as well as the air-liquid (a-l), liquid-liquid (l-l), and solid-liquid (s-l) interfaces in the past decade. SALVI is one of the first microfluidics-based reactors that has enabled direct analysis of volatile liquids in vacuum surface tools such as scanning electron microscopy (SEM) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). Its integration into ambient and vacuum spectroscopy and microscopy is illustrated. Several applications are highlighted including (1) imaging nanoparticles in liquid using in situ SEM; (2) mapping the evolving l-l interface using in situ x-ray absorption spectroscopy and ToF-SIMS; (3) following complex a-l interfacial oxidation reaction products using in situ ToF-SIMS; (4) capturing biological interfaces of cells and microbes via in vivo multimodal and correlative imaging; and (5) monitoring the dynamic solid electrode and liquid electrolyte interface using in operando molecular imaging. Finally, outlook and recommendations are presented. Besides showing the holistic information volume obtained by real-time multiplexed imaging, this review intends to convey the importance of tool development in revolutionizing surface and interface analysis using vacuum platforms previously limited to solid surfaces. Microfluidics is manifested to be not limited to ambient conditions in many examples in this review. Moreover, fundamental interfacial phenomena underpinning mass and charge transfer can now be pursued in real time via innovated chemical imaging and spectroscopy.

42 ENGINEERING↗

Coupling of high-resolution mass spectrometer and photosynthesis system for comprehensive leaf volatile metabolite profiling

Background Leaf-level biogenic volatile organic compounds (BVOCs) emissions represent a major source of organic gases in the atmosphere, influencing both climate and air quality. These emissions are strongly driven by environmental perturbations, which affect individual plant- to ecosystem-level processes. Uncovering all the BVOCs and understanding how their emissions respond to altered environmental conditions provide critical insights into vegetation-driven changes in atmospheric chemistry. We developed a tandem instrumentation setup that integrates a proton transfer reaction time-of-flight mass spectrometer (PTR-ToF-MS) with parts-per-trillion detection limits and a photosynthetic infrared gas exchange system for the untargeted survey of all the BVOCs. This novel system enables simultaneous, real-time monitoring of BVOC emissions and photosynthetic parameters at the leaf level, offering new opportunities to disentangle the physiological and environmental drivers of VOC release. Furthermore, we established the VOC Analysis and Processing Optimization Resource (VAPOR), an open-access software tool designed for rapid data post-processing and the analysis of the variability of hundreds of BVOCs. We assessed the performance of the tandem system under varying background conditions, using standard gas mixtures and a range of environmental factors. Results Blank emissions were substantially lower for major BVOCs (e.g., isoprene) compared to those observed in plant emissions. Despite this, the observation of background-level VOCs highlights the importance of routinely acquiring and accounting for blank measurements in analyses using the coupled instrumentation. Introduction of known VOC concentrations to the system demonstrated a linear response across different compounds with varying molecular compositions, indicating minimal gas loss regardless of chemical moieties within the coupled instrumentation. We applied the optimized system to investigate the physiological mechanisms driving BVOC emissions across different genotypes of poplar and pennycress. The high mass resolution capabilities of the PTR-ToF-MS, coupled with comprehensive VAPOR-driven data analysis, enabled the identification of several important BVOCs, including methanol and methanethiol; these BVOCs displayed substantial variation across pennycress genotypes and showed concentrations ~ 100–350% higher than the blank. Moreover, isoprene emissions varied significantly among poplar genotypes grown in different potting media. Conclusions Tandem instrumentation offers a powerful tool for profiling volatile molecular markers and elucidating their genetic and environmental underpinnings. This approach enhances our ability to predict BVOC emissions in response to genotype by environmental interactions and contributes to a deeper understanding of vegetation responses to environmental changes.

Biogenic volatile organic compounds↗

Vapor Growth of ZnSe-based Compound Semiconductors in Low Gravity environment on International Space Station

Six low-gravity experiments of crystal growth of ZnSe-based compound semiconductors by physical vapor transport (PVT) are scheduled to be processed inside Low Gradient Furnace (LGF) on Materials Science Research Rack (MSRR) in Material Science Laboratory (MSL) on International Space Station (ISS) starting from February 27th, 2023. The flight samples consist of three unseeded growths of ZnSe, Cr-doped ZnSe and ZnSeTe as well as growth of ZnSe on top of three single crystal ZnSe seeds with orientation of (100), (110) and (111). The main scientific objective of the flight experiments is to establish the effects of gravity-driven fluid flows on Earth to (i) the non-uniform incorporation of impurities and defects and (ii) the deviation from stoichiometry observed in the grown crystals caused by growth interface fluctuations and evolution as the results of buoyancy-driven convection and irregular fluid-flows. The investigation will also evaluate the effects of gravity on the PVT process by examining (i) the growth kinetics on various seed orientations, (ii) the dopant segregation and distribution in the Cr doped ZnSe, and (iii) the compositional segregation and distribution in the ternary ZnSeTe crystal grown by PVT. Additionally, from X-ray diffraction/topography and by measuring the density and distribution of various crystalline defects it will assess the self-induced strain effects developed during processing at elevated temperatures caused by the weight of the crystals. During the ground-based preparations, the following tasks have been accomplished: • Establish the thermodynamic properties of the ZnSe binary and related ternary systems by measuring the partial pressures of the vapor phase coexisting with the condensed phases and perform phase diagram calculations for comparison. • Evaluate the effects of gravity-driven convection in the growth process by performing experiments under various vapor transport orientations relative to gravity vector, i.e., horizontal, vertically stabilized and destabilized configurations. • Establish a quantitative correlation between growth parameters and the characteristics and properties of the grown crystals by characterizing the crystals using a variety of techniques. • Evaluate the fundamentals of the current theories on vapor transport and crystal growth kinetics by performing in-situ and real-time monitoring techniques during growth. • Develop a one-dimensional diffusion limited theory of mass transport and two- and three-dimensional numerical simulations of both mass transport and heat transfer and thus establish the microgravity requirements for the flight experiments and to predict the characteristics of the grown crystals such as the solid-vapor interface shapes… etc. and establish a fundamental understanding of the crystal growth process from the comparison with experimental results.

ZnSe↗

Organic Iodide Sorption from Dilute Gas Streams

Reprocessing used nuclear fuel releases volatile radionuclides, including 129 iodine (I), into the off-gas of a processing plant. Volatile radioiodine could be present in several forms, depending on the chemistry of the process used and the off-gas stream. Inorganic I 2 is expected to be the predominant I species in the dissolver off-gas (DOG), with minor organic iodides present. The bulk of the I is expected to volatilize into the DOG in parts-per-million-level (ppm) concentrations. In contrast, in the vessel off-gas (VOG), most of the volatile I is expected to be found as organic iodides, such as CH 3 I, C 4 H 9 I, and C 12 H 25 I. These species are expected to be present in parts-per-billion-level (ppb) concentrations but require abatement, even at low expected concentrations, to meet regulatory emissions limits in the United States. Historically, studies of I abatement by Ag-functionalized sorbents have focused on inorganic I in the DOG, but in the last few years, more research attention has been given to organic iodides, especially longer chain species, such as C 4 H 9 I, and C 12 H 25 I. This report has three main goals: (1) to present new data generated at Oak Ridge National Laboratory (ORNL) in FY21 on the sorption behavior of organic iodides on AgZ, (2) to summarize and synthesize organic iodide data produced by ORNL and Idaho National Laboratory (INL) over the last 4 years to answer questions on organic iodides behavior outlined in the 2018 joint test plan (Jubin et al. 2018), and (3) to propose a VOG abatement system design that can provide the capture efficiencies required to meet I emission limits. The 2021 ORNL experimental campaign tested the effects of organic iodide speciation and concentration in the off-gas, superficial velocity of the off-gas, and effects of aging on AgZ sorbent capacity. These studies found that the sorption rate of organic iodides by AgZ depends on the hydrocarbon chain length and the concentration in the off-gas. Higher molecular weight organic iodides adsorb to AgZ more slowly than I. At a concentration of 50 ppm concentration in the off-gas, CH 3 I loads 8% slower, C 4 H 9 I loads 20% slower, and C 12 H 25 I loads 40% slower than I. The lowest concentration loading rates calculated were in 5 ppm organic iodide gas streams in which AgZ gained on average 0.14 mg I/g sorbent/hour in the bench scale test system. Thus, longer sorbent beds might be needed to accommodate slower loading rates onto AgZ in lower concentration gas streams. Although sorption rate varies as a function of hydrocarbon chain length, the saturation concentration of the sorbent for these I-bearing species does not vary. Aging AgZ in a humid air stream for 9 months drops the overall sorbent capacity by ~35% for CH 3 I, ~50% for C 4 H 9 I, and ~40% for C 12 H 25 I. This results in a saturation capacity between 35 and 70 mg I/g sorbent for the aged AgZ. In conjunction with recent data produced by INL, these data are used to estimate the mass transfer zone (MTZ) and decontamination factor (DF) for sorbent beds of AgZ. Sorption tests performed with iodide gas concentrations of about 1 ppm and higher at a superficial gas velocity of 10 m/min, indicate that MTZ depths for these conditions tend to range between about 8-20 cm. Tests performed at lower concentrations between 50-90 ppb and at gas superficial velocities of 1, 10, and 20 m/min indicate that the MTZ depth increases with increasing superficial gas velocity. The 20 m/min test indicates that the MTZ for those conditions was at least 22 cm, and doubling the superficial gas velocity from 10 to 20 m/min could roughly double or triple the MTZ depth. Doubling and tripling the bounding MTZ depth of 20 cm for the body of MTZ estimates made at with 10 m/min superficial velocity would extend the MTZ for a superficial velocity of 20 m/min to 40-60 cm. This bounding limit applies to all of the organic iodides that have been tested. These results also indicate that the sorption rate-limiting step is not sensitive to the superficial gas velocity; otherwise the MTZ depth would not have increased approximately in proportion to the increase in the gas superficial velocity. This further suggests that the rate limiting step is not associated with mass transfer of the sorbate to the sorbent surface, or mass transfer of the reaction byproducts from the sorbent surface, but is associated with sorption or chemical reactions on the sorbent surface or in sorbent pores. Deep bed testing at INL has established DFs of >2,000 for I, CH 3 I, and C 4 H 9 I under a range of conditions (Soelberg et al. 2021, Bruffey et al. 2019). DF does not seem to be affected by the concentration of the organic iodide in the gas stream over the range of 1 to 50 ppm. Thus, if the MTZ is accommodated in sorbent bed design for the DOG and VOG, then regulatory DFs will be met. To meet the third objective outlined in this report, these experimental data were used to update an engineering evaluation of the VOG first completed in 2016. The updated VOG design can be found in an accompanying document (Welty et al., 2021; INL- LTD-21-64587). This report finds that the VOG will decrease in both size and complexity, relative to previous designs, and will still meet regulatory requirements for all iodine forms.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Operando neutron imaging-guided gradient design of Li-ion solid conductor for high-mass-loading cathodes

High-mass-loading cathodes are crucial for achieving high energy density in all-solid-state batteries from the lab scale to industry. However, as mass-loading increases, electrochemical performance is significantly compromised due to sluggish kinetics. In this work, operando neutron imaging is deployed on a high-mass-loading NMC 811 cathode of 33 mg/cm 2 (5.0 mAh/cm 2 ) and directly visualizes the lithiation prioritization of the cathode active material (CAM) from the solid electrolyte membrane side to the current collector side. In addition to the tortuosity, another key limitation on ion transfer in the cathode arises from the mismatch between the uniform distribution of the solid electrolyte (catholyte) in the conventional composite cathode and the non-uniform Li + flux generated by the faradaic reaction of CAMs. Therefore, we engineer a gradient in the catholyte concentration to match the Li + flux distribution as a means of eliminating the ion transfer obstacle. This approach demonstrates enhanced rate performance, even with high-mass-loading cathodes. A LiCoO 2 composite cathode with 100 mg/cm 2 high-mass-loading exhibits an areal capacity of 10.4 mAh/cm 2 at a current density of 2.25 mA/cm 2 . This work provides insight into the ion-transport limitation in thick cathodes and demonstrates an effective gradient design to overcome the kinetic barrier and achieve high battery performance.

Batteries↗

Radionuclide Waste Disposal: Development of Multi-scale Experimental and Modeling Capabilities (Final Report)

The DOE EPSCoR Implementation project “Radioactive waste management: Development of multi-scale experimental and modeling capabilities” helped to develop a team of scientists and engineers from Clemson University, South Carolina State University, and the University of South Carolina to address the disposition of nuclear wastes and study the transport of radioisotopes from a waste repository in the near and far field. The project involved 20 faculty from the three institutions as well as 13 postdoctoral fellows, 32 graduate students, and 32 undergraduate students and was active from 2014-2019. Additionally, we forged new collaborations with nine researchers from DOE laboratories SRNL, LLNL, and ANL as well as the University of Manchester and the China Academy of Engineering Physics. The overarching goal of the project was to understand the conditions under which important classes of co-reactants, ranging from counter ions in crystal lattices to dissolved oxygen in pores, control the chemistry and transport characteristics of radionuclides in engineered waste forms and natural soils. Our approach was to characterize the time and length scales over which non-equilibrium states are maintained by rate-limiting, or rate-enhancing, reactions between radionuclides and co-reactants due to interactions between physical mass-transfer processes (i.e., advection, diffusion) and (biogeo) chemical reactions. We have focused our project on three specific classes of reactions relevant to radionuclide transport at DOE legacy sites: ion exchange/substitution, ligand complexation, and redox-mediated reactions. Understanding radionuclide migration requires detailed knowledge of how changes to a system – whether engineered or natural – drive the behavior of co-reactants, which in turn provide the geochemical context controlling radionuclide transport. Student engagement and training were a primary focus of the project in order to create a pipeline of researchers who could work in the area of nuclear waste disposition to support the state and the nation. Over the duration of the project we worked with 32 undergraduate, graduated 18 M.S. students and 14 Ph.D. students, and advised 13 postdoctoral fellows. The Ph.D students and postdocs have primarily taken positions at DOE laboratories, academia, and industry. Through our collaborative team, numerous follow on projects have been started with over $5M in sponsored research. Additionally, thus far the team has published 53 peer reviewed papers and given over 75 technical presentations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Coupled effects of conduction in the crystal and thermo-solutal convection in a rectangular inclined enclosure

To date modeling of crystal growth of optoelectronic materials using Physical Vapor Transport has been limited to the study of the fluid phase. To achieve it, the equations of coupled heat, mass and momentum transfer in the gas have to be solved. The first objective of this study is to examine the effect of heat conduction in the crystal on the fluid flow in the neighborhood of the interface. Heat transfer boundary conditions on both interfaces were modified to take into account the additional heat flux between gas and solid. It is proved that heat conduction does not affect the fluid flow. In the presence of gravity, density gradients in the fluid phase generate convection responsible for the problem of a nonplanar growth of the interface. The second objective is to study systematically under one-g the different possible flows in order to solve this problem. Depending on the parameters, a diffusive mode and three convective modes (thermal, solutal and thermo-solutal) are observed. The competition between thermal and solutal convections leads to a mathematical condition which can be used to achieve a planar growth. It is proven that, under the physical conditions chosen, this mathematical condition cannot be thermodynamically satisfied.

Mennetrier, Christophe↗