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At least 1,171 records · Page 65

Operando visualization of porous metal additive manufacturing with foaming agents through high-speed x-ray imaging

Porous metals find extensive applications in soundproofing, filtration, catalysis, and energy-absorbing structures, thanks to their unique internal pore structure and high specific strength. In recent years, there has been an increasing interest in fabricating porous metals using additive manufacturing (AM), leveraging its unique advantages, including improved design freedom, spatial material control, and cost-effective small-batch production. In this study, we conducted pioneering operando visualization of AM porous metal using a laser powder bed fusion (L-PBF) setup combined with a high-speed synchrotron x-ray imaging system. Single track printing experiments using Ti6Al4V (Ti64) combined with titanium hydride (TiH 2 ) and sodium carbonate (Na 2 CO 3 ) as foaming agents, with varying mixing ratios were performed under different processing conditions. Here. the results elucidate the dynamic development of porosity formation. The average pore size is significantly influenced by the particle size of foaming agents when pore coalescence is absent. For all foaming agent content tested in the current study, the number of pores is found to be more sensitive to changes in laser power than in laser scanning speed. Increasing linear energy density (increasing laser power or reducing laser scanning speed) promotes the foaming agent activation thereby porosity formation. However, high linear energy density skews pore distribution towards the surface despite forming deeper melt pools. In addition, the impact of additional factors including foaming agent's laser absorptivity and decomposition kinetics with respect to AM time scales should be carefully considered to avoid ineffective activation of foaming agents during the AM of porous metals.

36 MATERIALS SCIENCE↗

Improving gold catalysis of nitroarene reduction with surface Pd

Nitroarene reduction reactions are commercialized catalytic processes that play a key role in the synthesisof many products including medicines, rubbers, dyes, and herbicides. Whereas bimetallic compositionshave been studied, a better understanding of the bimetallic structure effects may lead to improved indus-trial catalysts. In this work, the influence of surface palladium atoms supported on 3-nm Au nanoparticles(Pd-on-Au NPs) on catalytic activity for 4-nitrophenol reduction is explored. Batch reactor studies indi-cate Pd-on-Au NPs exhibit maximum catalytic activity at a Pd surface coverage of 150 sc%, with aninitial turnover frequency of ~3.7 mol-nitrophenol/mol-metalsurface/s, which was ~5.5× and ~13× moreactive than pure Au NPs and Pd NPs, respectively. Pd NPs, Au NPs, and Pd-on-Au NPs below 175 sc%show compensation behavior. Three-dimensional Pd surface ensembles (with ~4–5 atoms) previouslyidentified through X-ray adsorption spectroscopy provide the active sites responsible for the catalyticmaximum. These results demonstrate the ability to adjust systematically a structural feature (i.e., Pdsurface coverage) to yield a more active material.

36 MATERIALS SCIENCE↗

Microbial potentiometric sensor: A new approach to longstanding challenges

The underlying hypothesis of this study is that simple potentiometric measurements between sensing electrodes and a shared reference electrode - Microbial Potentiometric Sesnor (MPS) system - can be employed in a long-term, continuous mode of operation to resolve the spatial and temporal changes in environmental systems. To address the hypothesis, (1) a conceptual description of the MPS system and its postulated principle of operation are provided; (2) the MPS system performance is documented under controlled laboratory conditions; and (3) the capabilities of the MPS system are documented under quiescent and dynamic field condition. In a laboratory setting, the variability among different MPS signals was insignificant confirming the postulated high accuracy and reproducibility of the sensor performance. It also demonstrated statistically significant correlations with dissolved oxygen (DO) and oxidation-reduction potential (ORP) sensors, while showing capabilities of operating under anoxic and anaerobic conditions. Regardless of their locations in the model wetland system, three MPS sensors functioned without interruption and cleaning for a period >2 years, and thus demonstrating long-term durability of the MPS technology. In real batch-wastewater treatment facility, the deployed MPS system signals were able to describe the organic carbon trends and correlate with each treatment phase in a cycle. Data reproducibility and reliability exceeded the expectations better describing the carbon treatment levels than the DO and ORP sensors (p < 4.4 × 10 –162 vs phase adjusted p < 3.0 × 10 –58 ). While MPS signals correlate with specific parameters that describe the local process or environments, it is more prudent to employ both the magnitude and pattern of a composite signal like the MPS signal describe the change to reflect any shift in the local environment. Finally, when compared to a baseline pattern, this change in signal magnitude and pattern reveals important information that can be employed to tailor and optimize any condition or process which involves microorganisms.

47 OTHER INSTRUMENTATION↗

Hydrogen Regulation and Global Responses to Electron, Carbon and Nitrogen Sources of Methanococcus Maripaludis

Methanogens catalyze the critical, methane-producing step (called methanogenesis) in the anaerobic decomposition of organic matter. This project has generated the first predictive model of global gene regulation of methanogenesis in a hydrogenotrophic methanogen, Methanococcus maripaludis. We generated a comprehensive list of genes (protein-coding and non-coding) for M. maripaludis through integrated analysis of the transcriptome structure and a newly constructed Peptide Atlas. The environment and gene-regulatory influence network (EGRIN) model of the strain was constructed from a compendium of transcriptome data that was collected over 58 different steady-state and time course experiments that were performed in chemostats or batch cultures, under a spectrum of environmental perturbations that modulated methanogenesis. Analyses of the EGRIN model have revealed novel components of methanogenesis that included at least three additional protein-coding genes of previously unknown function as well as one non-coding RNA. We discovered that at least five regulatory mechanisms act in a combinatorial scheme to inter-coordinate key steps of methanogenesis with different processes such as motility, ATP biosynthesis, and carbon assimilation. Through a combination of genetic and environmental perturbation experiments we have validated the EGRIN-predicted role of two novel transcription factors in the regulation of phosphate-dependent repression of formate dehydrogenase a key enzyme in the methanogenesis pathway. The EGRIN model demonstrates regulatory affiliations within methanogenesis as well as between methanogenesis and other cellular functions. In addition, we have published an analysis of transcriptome architecture in M. maripaludis and an analysis of the effects of H 2 and formate on growth yield and regulation of methanogenesis in M. maripaludis.

59 BASIC BIOLOGICAL SCIENCES↗

Applying colloidal silica suspensions injection and sequential gelation to block vertical water flow in well annulus: laboratory testing on rheology, gelation, and injection

We evaluated the application of silica suspension injection and sequential gelation to block vertical water flow in the annuli of long-screened wells. First, we studied the viscosity, rheological behavior, and gelation performance of colloidal silica suspensions in batch tests. Then, we tested the injection of silica suspensions and the water flow blocking efficiency of the later formed silica gel in column and bench-scale sandbox experiments. Micron-sized fumed powder silica suspensions and nanosized silica suspensions recovered from geothermal fluids were tested in this work. Fumed silica suspensions showed shear thinning, while nanosized silica suspensions exhibited Newtonian flow behavior. During the gelation process, the nanosized silica suspension changed from a Newtonian fluid to a shear thinning fluid while increasing its overall viscosity. At comparable concentrations, the nanosized silica suspensions have much lower viscosity than that of the fumed silica suspensions. Increases in the Na + concentration and silica particle concentration in these suspensions shortened the gelation time. Silica suspension gelation in sand columns completely blocked the water flow and sustained the injection pressure up to 50 psig (344.7 kPa). A silica suspension was successfully injected into the target zone in the annulus of a bench-scale sandbox mimicking long-screened wells in the field. The silica gel formed in the annulus effectively blocked chemical transport through the gelled zone. Our research reveals that a process using silica suspension injection and sequential gelation technology is promising for blocking the vertical water flow and chemical transport through the filter pack in targeted zones within the annulus of long-screened well systems.

54 ENVIRONMENTAL SCIENCES↗

High-Performance Simulation of Dynamic Hydrologic Exchange and Implications for Surrogate Flow and Reactive Transport Modeling in a Large River Corridor

Hydrologic exchange flows (HEFs) have environmental significance in riverine ecosystems. Key river channel factors that influence the spatial and temporal variations of HEFs include river stage, riverbed morphology, and riverbed hydraulic conductivity. However, their impacts on HEFs were often evaluated independently or on small scales. In this study, we numerically evaluated the combined interactions of these factors on HEFs using a high-performance simulator, PFLOTRAN, for subsurface flow and transport. The model covers 51 square kilometers of a selected river corridor with large sinuosity along the Hanford Reach of the Columbia River in Washington, US. Three years of spatially distributed hourly river stages were applied to the riverbed. Compared to the simulation when riverbed heterogeneity is not ignored, the simulation using homogeneous riverbed conductivity underestimated HEFs, especially upwelling from lateral features, and overestimated the mean residence times derived from particle tracking. To derive a surrogate model for the river corridor, we amended the widely used transient storage model (TSM) for riverine solute study at reach scale with reactions. By treating the whole river corridor as a batch reactor, the temporal changes in the exchange rate coefficient for the TSM were derived from the dynamic residence time estimated from the hourly PFLOTRAN results. The TSM results were evaluated against the effective concentrations in the hyporheic zone calculated from the PFLOTRAN simulations. Our results show that there is potential to parameterize surrogate models such as TSM amended with biogeochemical reactions while incorporating small-scale process understandings and the signature of time-varying streamflow to advance the mechanistic understanding of river corridor processes at reach to watershed scales. However, the assumption of a well-mixed storage zone for TSM should be revisited when redox-sensitive reactions in the storage zones play important roles in river corridor functioning.

Fang, Yilin↗

BETO 2021 Peer Review - Electrocatalytic CO2 Utilization

The goal of the ChemCatBio DataHub project is to accelerate the catalyst and process development cycle by developing transformational tools for prediction and collaboration in catalyst R&D. The project is currently focused on the development of the Catalyst Property Database (CPD), a free and public resource released in September 2020. The CPD was designed to advance the state of the art for application of computational data. When computational data, such as computed reaction energetics, is used in catalyst design, it is almost always generated by the researchers seeking to use it, even if similar data has been published previously. One barrier to data reuse that results in this duplication of effort is the difficult process of finding and applying published data, which can be slow, error-prone, and manual. The CPD seeks to overcome these challenges by creating a centralized, searchable database of quality catalyst property data. At present, the CPD contains computed adsorption energies for intermediates along catalytic pathways. During FY21 and FY22, development of the CPD continues with a focus on external users and meeting their requirements. A batch upload capability, training and curation procedures, user interviews, and a demonstration of the CPD's utility in accelerating catalyst research are planned. Overall, the Data Hub project and CPD aim to reduce the time and cost of catalyst research by harnessing the power of data in catalyst discovery.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Predicting Morphological Evolution during Coprecipitation of MnCO 3 Battery Cathode Precursors Using Multiscale Simulations Aided by Targeted Synthesis

The performance of lithium-ion batteries is intimately linked to both the structure and the morphology of the cathode material, which in turn is critically linked to the synthesis conditions. However, few studies focus on understanding synthesis, especially during the coprecipitation of metal oxide precursors, a process that largely determines the final morphology of the material. In this paper, we go beyond the typical equilibrium particle shape analysis conducted in the literature and incorporate kinetic aspects of morphology evolution. We perform these studies using controlled synthesis on a well-defined metal salt system (MnCO 3 ) combined with multiscale simulations and high-resolution microscopy. Results show that with increasing metal concentration, the particles transition from rhombohedral to cubic to spherical shapes. Computational analysis using density functional theory (DFT) reveals that rhombohedral shaped particles evolve under equilibrium conditions. Phase field techniques indicate that at higher metal concentrations, fast growth kinetics of the precipitates result in the transition to cubic and, subsequently, spherical shapes, accompanied by a decrease in particle size. This study, while limited to the one metal salt system, provides an approach to shed light on the synthesis process of mixed transition metal salts, gradient materials, and other cathode materials of interest to the battery community.

25 ENERGY STORAGE↗

Synthesis, Characterization and Experimental Studies of Nano Zn–Al–Fe{sub 3}O{sub 4} Blended Alginate/Ca Beads for the Adsorption of Rhodamin B

In the present study, adsorptive removal of rhodamin-B (RMN-B) from aqueous solution was investigated by using nano Zn–Al–Fe{sub 3}O{sub 4} incorporated sodium alginate (SA) beads. SA is a natural polysaccharide, non toxic and biodegradable material. The incorporation of Zn–Al–Fe{sub 3}O{sub 4} into SA was done by ionic polymerization method using CaCl{sub 2}. A batch mode study was used for the adsorption of RMN-B onto Zn–Al–Fe{sub 3}O{sub 4}/ alginate beads. The adsorption efficiency of RMN-B was investigated by the following modeling equations like Freundlich, Langmuir, Pseudo-first order, Pseudo-second order, Intraparticle diffusion, Gibbs free energy, Enthalpy and Entropy. The predicted experimental results of various modeling equations were implied that the process follow Langmuir and pseudo-second order equations. The intraparticle diffusion parameters indicate that the diffusion between RMN-B and nano beads were predominant in throughout of process. The surface morphology of nano beads of before and after adsorption were show that RMN-B is strongly adhered on whole surface of the nano material. The FTIR spectrum indicates that the RMN-B strongly adsorbed on the surface and TGA study reveals that the alginate/Zn–Al–Fe{sub 3}O{sub 4}/Ca material has an excellent temperature withstand capacity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Quantitative Encapsulation and Homogeneity Assessment of Sol–Gel Based Nuclear Explosive Debris Simulants

Nuclear explosive debris simulants are an important material in training and validating aspects of post-detonation nuclear forensic processes. Realistic simulants should replicate several aspects of nuclear explosive debris such as the size, shape, color, density, and chemical and radiological properties. Silica particles produced via sol-gel synthesis have recently been found to successfully reproduce many of these parameters including the controllable incorporation of radionuclide content. However, to be useful as a benchmarking material for validation and verification of laboratory methodologies, radionuclide content from batch-to-batch must be reproducible. Here, in this work, we explore the variance in radionuclide distribution incorporated into sol-gel benchmarking materials with respect to sample subdivision. Results will help inform the sample sizes required to minimize variance between samples.

36 - MATERIALS SCIENCE↗

Evolution of CMS Workload Management Towards Multicore Job Support

The successful exploitation of multicore processor architectures is a key element of the LHC distributed computing system in the coming era of the LHC Run 2. High-pileup complex-collision events represent a challenge for the traditional sequential programming in terms of memory and processing time budget. The CMS data production and processing framework is introducing the parallel execution of the reconstruction and simulation algorithms to overcome these limitations. CMS plans to execute multicore jobs while still supporting singlecore processing for other tasks difficult to parallelize, such as user analysis. The CMS strategy for job management thus aims at integrating single and multicore job scheduling across the Grid. This is accomplished by employing multicore pilots with internal dynamic partitioning of the allocated resources, capable of running payloads of various core counts simultaneously. An extensive test programme has been conducted to enable multicore scheduling with the various local batch systems available at CMS sites, with the focus on the Tier-0 and Tier-1s, responsible during 2015 of the prompt data reconstruction. Scale tests have been run to analyse the performance of this scheduling strategy and ensure an efficient use of the distributed resources. This paper presents the evolution of the CMS job management and resource provisioning systems in order to support this hybrid scheduling model, as well as its deployment and performance tests, which will enable CMS to transition to a multicore production model for the second LHC run.

Perez-Calero Yzquierdo, A.↗

Coal fly ash interaction with environmental fluids: Geochemical and strontium isotope results from combined column and batch leaching experiments

The major element and Sr isotope systematics and geochemistry of coal fly ash and its interactions with environmental waters were investigated using laboratory flow-through column leaching experiments (sodium carbonate, acetic acid, nitric acid) and sequential batch leaching experiments (water, acetic acid, hydrochloric acid). Column leaching of Class F fly ash samples shows rapid release of most major elements early in the leaching procedure, suggesting an association of these elements with soluble and surface bound phases. Delayed release of certain elements (e.g., Al, Fe, Si) signals gradual dissolution of more resistant silicate or glass phases as leaching continues. Strontium isotope results from both column and batch leaching experiments show a marked increase in {sup 87}Sr/{sup 86}Sr ratio with continued leaching, yielding a total range of values from 0.7107 to 0.7138. For comparison, the isotopic composition of fluid output from a fly ash impoundment in West Virginia falls in a narrow range around 0.7124. The experimental data suggest the presence of a more resistant, highly radiogenic silicate phase that survives the combustion process and is leached after the more soluble minerals are removed. Strontium isotopic homogenization of minerals in coal does not always occur during the combustion process, despite the high temperatures encountered in the boiler. Early-released Sr tends to be isotopically uniform; thus the Sr isotopic composition of fly ash could be distinguishable from other sources and is a useful tool for quantifying the possible contribution of fly ash leaching to the total dissolved load in natural surface and ground waters.

01 COAL, LIGNITE, AND PEAT↗

Geochemical Impacts of Leaking CO 2 from Subsurface Storage Reservoirs to Unconfined and Confined Aquifers

Experimental research work has been conducted and is undergoing at Pacific Northwest National Laboratory (PNNL) to address a variety of scientific issues related with the potential leaks of the carbon dioxide (CO 2 ) gas from deep storage reservoirs. The main objectives of this work are as follows: • Develop a systematic understanding of how CO 2 leakage is likely to influence pertinent geochemical processes (e.g., dissolution/precipitation, sorption/desorption and redox reactions) in the aquifer sediments. • Identify prevailing environmental conditions that would dictate one geochemical outcome over another. • Gather useful information to support site selection, risk assessment, policy-making, and public education efforts associated with geological carbon sequestration. In this report, we present results from experiments conducted at PNNL to address research issues related to the main objectives of this effort. A series of batch and column experiments and solid phase characterization studies (quantitative x-ray diffraction and wet chemical extractions with a concentrated acid) were conducted with representative rocks and sediments from an unconfined, oxidizing carbonate aquifer, i.e., Edwards aquifer in Texas, and a confined aquifer, i.e., the High Plains aquifer in Kansas. These materials were exposed to a CO 2 gas stream simulating CO 2 gas leaking scenarios, and changes in aqueous phase pH and chemical composition were measured in liquid and effluent samples collected at pre-determined experimental times. Additional research to be conducted during the current fiscal year will further validate these results and will address other important remaining issues. Results from these experimental efforts will provide valuable insights for the development of site-specific, generation III reduced order models. In addition, results will initially serve as input parameters during model calibration runs and, ultimately, will be used to test model predictive capability and competency. The results from these investigations will provide useful information to support site selection, risk assessment, and public education efforts associated with geological, deep subsurface CO 2 storage and sequestration.

Qafoku, Nikolla P.↗

Liquefaction of Forest Biomass to "Drop-in" Hydrocarbon Biofuels

The overall goal of the project was to demonstrate solvent liquefaction as a viable path to stable intermediates for subsequent upgrading to fuel blendstocks. Iowa State University (ISU) utilized technology developed by Chevron to produce “green crude” via continuous biomass liquefaction to bio-oil without catalyst or reducing gas, then upgraded the crude to drop-in hydrocarbon liquid transportation fuels. Original benchmarks for the project included conversion of biomass to bio-oil at a yield of 50% or more, produce bio-oil with oxygen content below 20 wt%, and recycle a portion of the bio-oil product for use as solvent, displacing initial hydrocarbon solvent. Initial testing and technology development was completed by Chevron using a custom Small Continuous Liquefaction Unit (SCLU) operated in “once-through” mode. In this system, liquid product and solid residual/char was collected together and required both off-line solids removal and product separation. This unit was disassembled and major components incorporated into a redesigned solvent liquefaction system at ISU capable of processing biomass at rates up to 1 kg/h. Online, continuous solids separation and bio-oil recovery/separation systems were successfully implemented. Online solids removal using an acetone injection to aid in separation achieved over 99% solids removal efficiency, and acetone recovery of greater than 97% was achieved. The gas stripping system developed for the separation of medium wood oil (MWO) for the recycle stream from the heavy wood oil (HWO) product stream was also successful in recovering approximately 93 wt% of the initial solvent from the biomass-derived products. Due to the generation of fine particulate and the high molecular weight of the HWO which both negatively affect the ability to separate the product oil, solvent recycle was not fully implemented in the system. The biomass used in this project is loblolly pine forest residue. The solvent was a blend of two hydrocarbon liquids. The majority of the solvent was comprised of commercially available naphthalene-depleted heavy aromatic solvent. The hydrogen donor solvent was a proprietary cut of light cycle oil (LCO) that was hydrotreated. As much as 25 wt% of the solvent mixture was comprised of the hydrotreated LCO. Higher blend ratios were limited by the economics of providing hydrogen to the process in this manner. Two cases were evaluated for technical feasibility on the SCLU. These are 1. Simulated phenolic solvent recycle and 2. Hydrocarbon-rich solvent processing. The simulated phenolic solvent recycle case was based on an idealistic solvent mixture where only 5% makeup or hydrogen donor solvent entered the system. The resulting solvent mixture at steady state was estimated to be 75 wt% depleted hydrogen donor, 20 wt% biomass derived phenolic monomers, and 5 wt% HLCO. This case resulted in the highest bio-oil organic yield observed in the project of 66.7 wt% on a solvent-less, dry biomass basis and relatively low oxygen content of 12%. Additionally, these conditions deconstructed the biomass so well, that extremely fine particulate was generated such that 5 micron barrier filters were unable to remove the material. Offline addition of acetone, centrifugation and acetone removal were required in order to remove the particulate prior to fractionation with the stripping column. The resulting HWO had a high molecular weight and was therefore very viscous in nature, remaining solid at room temperature. Additionally, the column was unable to sustainably strip enough MWO to close the recycle loop balance while maintaining flowability of product oil exiting the column. It was determined that additional HLCO would be required at the front of the process to decrease product viscosity both by dilution and additional hydrogen transfer into the HWO product oil. The hydrocarbon rich mixture was the preferred mixture for a majority of the project and featured a 25% donor or HLCO content and 75% depleted hydrogen donor mix. A series of three tests were conducted using this mixture and serve as the basis for a paper detailing the system. While the online acetone injection system for high pressure solids removal was demonstrated early on using this mixture, difficulty controlling process flows led to the use of an atmospheric stirred tank filtration system. At these high donor solvent levels, the product stream easily partitioned with sufficient MWO to close the recycle loop balance. Additionally, this mixture produced HWO product oil at just over 55% yield, <5% oxygen content, and a reasonable viscosity at room temperature. A 56 hour campaign was conducted with the ISU pilot to produce a large enough batch of HWO product oil to conduct upgrading experiments at Chevron’s Richmond, CA facility. Benchtop hydrotreating units were used to conduct long-duration hydrogenation/hydrogenolysis reactions in order to provide yield data and help validate assumptions made in the TEA model. Resulting products featured an oxygen content of <1%, near the detectability limit. Hydrocracking simulations were also performed, and a distribution of heavy wood oil to refinery products was determined. These distributions are based on a database of commercial and pilot plant operation used by Chevron to estimate product yield from novel inputs based on the input physical and chemical characteristics. While multi-week benchtop hydrotreating tests were successfully conducted without fouling, analysis and testing of the heavy wood oil suggest it may be better suited for hydrocracking. Metals content in the heavy wood oil would likely create catalyst fouling over time and reduce lifetime of hydrotreating catalysts. Yields and product partitioning were also more favorable from hydrocracking compared to those from hydrotreating.

09 BIOMASS FUELS↗

Practical and Optimal Sequential Bayesian Experimental Design for Complex Systems Incorporating Human Experimenter Preferences (Final Scientific/Technical Report)

Experiments are indispensable for developing models of complex systems. Carefully designed experiments can provide substantial savings for these expensive data-acquisition opportunities. However, designs based on heuristics are often suboptimal for systems with multiphysics, nonlinear dynamics, and uncertain and noisy environments. Optimal experimental design, while leveraging predictive models, seeks to systematically quantify and maximize the value of experiments. In this project, we focused on the design of multiple experiments, where current approaches are largely suboptimal: batch-design does not adapt to new data acquired during the experiment campaign (no feedback), and greedy/myopic design ignores future dynamics and consequences (no lookahead). We developed the mathematical framework and computational methods for sequential optimal experimental design (sOED) for complex systems. We enabled tractable model-based sOED in a rigorous manner through novel algorithms based on reinforcement learning, and investigated the effects of human experimenters on the design process. Our methods are fully Bayesian, able to quantify and update uncertainty in a principled manner. The traits aimed by our approach—mathematical rigor and optimality, human effects and uncertainty quantification, computational practicality—are crucial for elevating the standards of artificial intelligence (AI) to support decision-making in scientific domains, and contribute toward trust and realistic adoption of AI in experimental design practice.

97 MATHEMATICS AND COMPUTING↗

Depletion Analysis of a Generic Fast Spectrum Molten Salt Reactor Supporting Material Control and Accounting (Rev.1)

Advanced reactors are of interest for a variety of use scenarios, and there are numerous advanced reactor designs being considered, which includes molten salt reactors (MSRs). Depending on the design, advanced reactors may have more extensive material control and accounting (MC&A) processes than current Light Water Reactor (LWR) designs. This project evaluated the use of Monte Carlo simulations for generating information that could guide the development of MC&A approaches for MSRs. In particular, the current capabilities of MCNP version 6.3 internally coupled with CINDER’90 were assessed for a fast spectrum liquid fueled MSR with online fission product removal and refueling. The fission product removal and refueling was performed in batches, and a Python wrapper was developed to control the simulations and update the fuel composition.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Quality Control Metrics to Assess MoS 2 Sputtered Films for Tribological Applications [Slides]

Easily measured metrics that could assign quantifiable values to coating batches for quality control have started to be developed. High-density is an attribute of quality films. Increased density results in harder, more wear resistant coatings in inert and humid environments. Denser films are more resistant to oxidation from aging, limiting the severity and depth of oxide into the coating. Future work includes using metrics for quality. The next step is to develop in house deposition capabilities to develop process-structure relationships.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗