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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 OSTI2015

Adsorptive Separation and Sequestration of Krypton, I and C14 on Diamond Nanoparticles

The objective of this research proposal was to address the separation and sequestration of Kr and I from each other using nano-sized diamond particles and retaining these in diamond until they decay to the background level or can be used as a byproduct. Following removal of Kr and I, an adsorbent will be used to adsorb and store CO 2 from the CO 2 rich stream. A Field Enhanced Diffusion with Optical Activation (FEDOA-a large scale process that takes advantage of thermal, electrical, and optical activation to enhance the diffusion of an element into diamond structure) was used to load Kr and I on micron or nano sized particles having a larger relative surface area. The diamond particles can be further increased by doping it with boron followed by irradiation in a neutron flux. Previous studies showed that the hydrogen storage capacity could be increased significantly by using boron-doped irradiated diamond particles. Diamond powders were irradiated for a longer time by placing them in a quartz tube. The surface area was measured using a Quantachrome Autosorb system. No significant increase in the surface area was observed. Total surface area was about 1.7 m 2 /g. This suggests the existence of very minimal pores. Interestingly it showed hysteresis upon desorption. A reason for this may be strong interaction between the surface and the nitrogen molecules. Adsorption runs at higher temperatures did not show any adsorption of krypton on diamond. Use of a GC with HID detector to determine the adsorption capacity from the breakthrough curves was attempted, but experimental difficulties were encountered.

36 MATERIALS SCIENCE↗
NASA NTRS1966

Brazing process using'al-Si filler alloy reliably bonds aluminum parts

Brazing process employs an aluminum-silicon filler alloy for diffusion bonding of aluminum parts in a vacuum or inert gas atmosphere. This process is carried out at temperatures substantially below those required in conventional process and produces bonds of greater strength and reliability.

Beuyukian, C. S.↗
NASA NTRS1972

Elevated temperature deformation of TD-nickel base alloys

Sensitivity of the elevated temperature deformation of TD-nickel to grain size and shape was examined in both tension and creep. Elevated temperature strength increased with increasing grain diameter and increasing L/D ratio. Measured activation enthalpies in tension and creep were not the same. In tension, the internal stress was not proportional to the shear modulus. Creep activation enthalpies increased with increasing L/D ratio and increasing grain diameter, to high values compared with that of the self diffusion enthalpy. It has been postulated that two concurrent processes contribute to the elevated temperature deformation of polycrystalline TD-nickel: (1) diffusion controlled grain boundary sliding, and (2) dislocation motion.

Petrovic, J. J.↗
DOE OSTI2016

CMOS-compatible method for doping of buried vertical polysilicon structures by solid phase diffusion

Polysilicon receives attention nowadays as a means to incorporate 3D-structured photonic devices into silicon processes. However, doping of buried layers of a typical 3D structure has been a challenge. We present a method for doping of buried polysilicon layers by solid phase diffusion. Using an underlying silicon oxide layer as a dopant source facilitates diffusion of dopants into the bottom side of the polysilicon layer. The polysilicon is grown on top of the oxide layer, after the latter has been doped by ion implantation. Post-growth heat treatment drives in the dopant from the oxide into the polysilicon. To model the process, we studied the diffusion of the two most common silicon dopants, boron (B) and phosphorus (P), using secondary ion mass spectroscopy profiles. Our results show that shallow concentration profiles can be achieved in a buried polysilicon layer using the proposed technique. We present a quantitative 3D model for the diffusion of B and P in polysilicon, which turns the proposed method into an engineerable technique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Thermally driven advection for radioxenon transport from an underground nuclear explosion

Abstract Barometric pumping is a ubiquitous process resulting in migration of gases in the subsurface that has been studied as the primary mechanism for noble gas transport from an underground nuclear explosion (UNE). However, at early times following a UNE, advection driven by explosion residual heat is relevant to noble gas transport. A rigorous measure is needed for demonstrating how, when, and where advection is important. In this paper three physical processes of uncertain magnitude (oscillatory advection, matrix diffusion, and thermally driven advection) are parameterized by using boundary conditions, system properties, and source term strength. Sobol' sensitivity analysis is conducted to evaluate the importance of all physical processes influencing the xenon signals. This study indicates that thermally driven advection plays a more important role in producing xenon signals than oscillatory advection and matrix diffusion at early times following a UNE, and xenon isotopic ratios are observed to have both time and spatial dependence.

Sun, Yunwei↗
NASA NTRS2000

The Decomposition of Carbonates and Organics on Mars

The return and analysis of pristine material that is relict of a putative period of chemical evolution is a fumdamental goal of the exobiological exploration of Mars. In order to accomplish this objective, it is desirable to find oxidant-free regions where pristine material can be accessed at the shallowest possible depth (ideally directly from the surface). The objective of our ongoing research is to understand the spatial and temporal distribution of oxidants in the martian regolith and the redox chemistry of the soil; in effect to understand the chemical mechanisms and kinetics relating to the in-situ destruction of organics and the formation of the reactive species responsible for the Viking biology results. In this work, we report on experimental studies of oxidizing processes that may contribute to carbonate and organic degradation on Mars. Organic molecules directly exposed to solar UV may decomposed either directly into CO2, or into more volatile organic fragments. Organic macromolecules not directly exposed to high UV flux are most likely to be affected by atmospheric oxidants which can diffuse to their surfaces. The oxidizing processes examined include: gas-phase oxidants, UV photolysis, and UV-assisted heterogeneous catalysis. For example, assuming a meteroritic infall rate of 4 x 10(exp -4) g/m^2yr (Flynn and McKay 1990) and a flux of organic carbon of 2 x 10(exp -5) g/m^2yr, laboratory measurements of the UV-assisted decomposition of benzenehexacarboxylic acid (mellitic acid, a likely intermediate of kerogen oxidation), indicate its decomposition rate on Mars would exceed the total flux of organic carbon to the planet by over four orders of magnitude. Our measurements indicate that although the decomposition temperature of kerogens in some cases exceeds the temperature limit of the Viking GCMS, it is unlikely kerogens or their decomposition intermediates were present at the Viking landings sites at levels above the GCMS detection limits.

Quinn, Richard C.↗
DOE OSTI2018

Introducing a risk aggregation rationale for mapping risks to aquifers from point- and diffuse-sources–proof-of-concept using contamination data from industrial lagoons

Highlights: • Aquifer risk mapping is introduced for contaminants acting as point/diffuse-sources. • Innovations are framed by risk cells based on Source-Pathway-Receptor-Source (SPRC). • Point-source (Risk Cell 1) and diffuse-source (Risk Cell 2) use sets of algorithms. • Algorithms include MODPATH, DRASTIC, GWPI and are integrated on a modular basis. • Risk Cells 1/2 are aggregated giving fit-for-purpose results as proof-of-concept. - Abstract: Proof-of-concept for a methodology is presented on mapping risks to aquifers impacted from point- and diffuse-sources, where mapping or indexing refers to relative but not absolute values. The methodology is generic but tested by investigating impacts of a risk exposure from industrial wastewater lagoons. The methodology is innovative for using the qualitative Source-Pathways-Receptors-Consequences (SPRC) framework to aggregate risks from both point-sources and diffuse-sources through breaking down a study area into SPRC risk cells. In this paper, two risk cells are required as: (i) Cell 1 is directly impacted from a point-source; and (ii) Cell 2 is impacted by diffuse-sources to slowly contaminate the aquifer by infiltration over a large area. Indexing both types of risk cells generically comprise three tiered processes: (i) binary indexing establishes if a grid cell is at a potential risk or not; (ii) graded indexing measures the strength of the risk pathways from source to receptors; and (iii) local indexing measures intrinsic potentials at the grid cell to propagate the risk. These three processes apply to both point- and diffuse-sources but with different mathematical formulations. The proof-of-concept for the methodology of risk aggregation using the SPRC framework is supported by results of a study area, in which a set of performance metrics are used by comparing with the measurements. The results are found to be fit-for-purpose for serving as proactive management tools and to provide a deeper insight into potential impacts of adverse effects.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1972

Diffusion bonding of IN 718 to VM 350 grade maraging steel

Diffusion bonding studies have been conducted on IN 718, VM 350 and the dissimilar alloy couple, IN 718 to maraging steel. The experimental processing parameters critical to obtaining consistently good diffusion bonds between IN 718 and VM 350 were determined. Interrelationships between temperature, pressure and surface preparation were explored for short bending intervals under vacuum conditions. Successful joining was achieved for a range of bonding cycle temperatures, pressures and surface preparations. The strength of the weaker parent material was used as a criterion for a successful tensile test of the heat treated bond. Studies of VM-350/VM-350 couples in the as-bonded condition showed a greater yielding and failure outside the bond region.

Crosby, S. R.↗
DOE OSTI2016

M4FT-16LL080303052-State of Knowledge for Colloid Facilitated Radionuclide Transport and Update on Actinide Diffusion in Bentonite Backfill

This progress report (Level 4 Milestone Number M4FT-16LL080303052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline Disposal R&D Activity Number FT-16LL080303051 and Crystalline International Collaborations Activity Number FT-16LL080303061. The focus of this research is the interaction of radionuclides with Engineered Barrier System (EBS) and host rock materials at various physico-chemical conditions relevant to subsurface repository environments. They include both chemical and physical processes such as solubility, sorption, and diffusion. The colloid-facilitated transport effort focused on preparation of a draft manuscript summarizing the state of knowledge and parameterization of colloid-facilitated transport mechanisms in support of reactive transport and performance assessment models for generic crystalline repositories. This draft manuscript is being submitted as a level 3 milestone with LANL as the primary author. LLNL’s contribution to that effort is summarized only briefly in the present report. A manuscript summarizing long-term U(VI) diffusion experiments through bentonite backfill material was recently accepted for publication; the contents of that manuscript are summarized in the present report. The Np(IV) diffusion experiments were started mid-year and are ongoing. The completion of these experiments is planned for early FY17. Our progress in quantifying Np(IV) diffusion in bentonite backfill is summarized in the present report. Our involvement with the NEA TDB project was summarized in a recent Argillite Disposal activity report. It is not included in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

M4SF-17LL010302072: The Roles of Diffusion and Corrosion in Radionuclide Retardation

This progress report (Level 4 Milestone Number M4SF-17LL010302072) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline Disposal R&D Activity Number M4SF-17LL01030207 and Crystalline International Collaborations Activity Number M4SF-17LL01030208. The focus of this research is the interaction of radionuclides with Engineered Barrier System (EBS) and host rock materials at various physicochemical conditions relevant to subsurface repository environments. They include both chemical and physical processes such as solubility, sorption, and diffusion.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Amorphization of Pseudocapacitive T−Nb 2 O 5 Accelerates Lithium Diffusivity as Revealed Using Tunable Isomorphic Architectures

Abstract Intercalation pseudocapacitance can combine capacitor‐like power densities with battery‐like energy densities. Such surface‐limited behavior requires rapid diffusion where amorphization can increase solid‐state diffusivity. Here intercalation pseudocapacitive materials with tailored extents of amorphization in T‐Nb 2 O 5 are first reported. Amorphization was characterized with WAXS, XPS, XAFS, and EPR which suggested a peroxide‐rich (O 2 2− ) surface that was consistent with DFT predictions. A series of tunable isomorphic architectures enabled comparisons while independently varying transport parameters. Through process of elimination, solid‐state lithium diffusion was identified as the dominant diffusive‐constraint dictating the maximum voltage sweep rate for surface‐limited kinetics ( v SLT ), termed the Surface‐Limited Threshold (SLT). The v SLT increased with amorphization however stable cycling required crystalline T‐Nb 2 O 5 . A current‐response model using series‐impedances well‐matched these observations. This perspective revealed that amorphization of T‐Nb 2 O 5 enhanced solid‐state diffusion by 12.2 % and increased surface‐limitations by 17.0 % (stable samples). This approach enabled retaining 95 % lithiation capacity at ∼800 mV s −1 (1,600 C‐rate equivalent).

25 ENERGY STORAGE↗
DOE OSTI2014

Diffusion and stochastic island generation in the magnetic field line random walk

The cross-field diffusion of field lines in stochastic magnetic fields described by the 2D+slab model is studied using a semi-analytic statistical approach, the decorrelation trajectory method. We show that field line trapping and the associated stochastic magnetic islands strongly influence the diffusion coefficients, leading to dependences on the parameters that are different from the quasilinear and Bohm regimes. A strong amplification of the diffusion is produced by a small slab field in the presence of trapping. The diffusion regimes are determined and the corresponding physical processes are identified.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Assessment of the Idaho National Laboratory Remote-Handled Low-Level Waste Disposal Facility Vault Concrete Data

This document provides a summary of the concrete performance data collected during vault fabrication and installation. The report includes the process by which quality data was collected during vault fabrication and installation, the inspection requirements, and a summary of resulting test data with the potential to impact vault system durability. This report also includes quantitative data collected on cured concrete samples poured for random concrete batches throughout the concrete component fabrication process. Quantitative data includes total porosity, bulk density, absorption, effective porosity, and gas-phase permeability. Chloride diffusivity data collected during the concrete mix selection process are also included for completeness. Data shows that the vault quality assurance program resulted in components received insignificant defects and damaged areas during the fabrication stage and during the vault installation stage. Data collected on the cured concrete samples show the gas-phase permeability and effective porosity are slightly higher than the data used to select the concrete mix designs.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Model Package Report: Composite Analysis Solid Waste Release Model (CASWR Model)

This document describes the implementation of a solid waste form release model in GoldSim for the Hanford Site Composite Analysis (CA) Update. This Composite Analysis Solid Waste Release model (CASWR model) was designed to generate deterministic radionuclide release rates for Hanford’s Central Plateau solid waste disposal sites using single realizations of release model coefficients. Five generalized waste form types are used for the conceptual model of waste release: surplus reactor block, cement, soil-debris, grouted residual waste, and ancillary equipment. The surplus reactor block waste form consists of radionuclide leaching from surplus production graphite reactor core blocks via unspecified processes (White et al., 1984 as cited in PNNL-15965). The cement waste form represents solidified wastes whose permeability is much lower than that of the surrounding soil. The soil-debris waste form type is defined as unconsolidated waste mixed with soil material. Tanks and canyon complexes comprise the grouted residual waste form such that their solid waste will be grouted and capped with a surface barrier at the completion of their cleanup. Finally, the ancillary equipment waste form constitutes contaminant releases from ancillary and auxiliary waste form residues associated with tank farms at closure. Individual sub-models are implemented to numerically represent a respective waste form within the CASWR Model: Surplus Reactor Block Sub-model, Cement Sub-model, SoilDebris Sub-model, Grouted Residual Waste Sub-model, and Ancillary Equipment Submodel. Advection is assumed to be the primary transport process governing the release of radionuclides in the Ancillary Equipment and Soil-Debris Sub-models. Diffusion is assumed to be the primary release process in the Grouted Residual Waste and Cement Sub-models. An unspecified zero-order release process is considered in the Surplus Reactor Block Sub-model due to the lack of information regarding actual processes involved in irradiated graphite leaching. The Surplus Reactor Block, Cement, and SoilDebris Sub-models were compared against analytical solutions (PNNL-11800, Composite Analysis for Low-Level Waste Disposal in the 200 Area Plateau of the Hanford Site). The agreement between results of these analytical solutions and the corresponding waste form models verified their correct implementation in GoldSim. A 1-D modeling abstraction approach for the Grouted Residual Waste and Ancillary Equipment Sub-models was adopted from existing Performance Assessment (PA) models. Despite the simplifications made in these sub-models, they were found to be appropriate representations of the waste forms, similar to what was used in the Waste Management Area C PA model (RPP-ENV-58782, Performance Assessment of Waste Management Area C, Hanford Site, Washington, Rev. 0). A sensitivity analysis was conducted to identify the most influential parameters in each waste form sub-model. Suggestions for considering pH-dependent and redox-dependent release mechanisms are formulated through the development of a conditional constant approach in GoldSim.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1980

A low-cost photovoltaic cell process based on thick film techniques

The low-cost, easily automated processing for solar cell fabrication being developed at Spectrolab for the DOE LSA program is described. These processes include plasma-etching, spray-on diffusion sources and antireflective coating, thick film metallization, aluminum back contacts, laser scribing and ultrasonic soldering. The process sequence has been shown to produce solar cells having 15% conversion efficiency at AM1 which meet the cell fabrication budget required for the DOE 1986 cost goal of $0.70 per peak watt in 1980.

Mardesich, N.↗
DOE OSTI2023

Modulating the Mixing Gibbs Free Energy to Enhance Solid–Liquid Phase Separation for High–Performance Organic Solar Cells

Organic solar cells (OSC) feature a hierarchical structure with the electron donor/acceptor layer sandwiched by anode and cathode, which raises the importance of controlling the molecular crystal orientation, domain size, and vertical distribution to facilitate the charge collection at electrodes. However, the similar conjugated backbone of donor/acceptor material and fast film–formation kinetics have led to spinodal–decomposition–orientated phase separation that result in the film presenting an intimately mixed morphology and random molecular orientation. To solve the issue, the mixing Gibbs free energy–triggered solid–liquid phase separation during the film formation process is enhanced by solidifying one component and solvating the other based on a liquid additive. Following the liquid evaporation process, a favorable vertical distribution is obtained. Meanwhile, the prolonged solvation process enlarges the domain size and assists the molecules to diffuse and orient properly, enabling better exciton/charge dynamics during the power conversion processes. As a result, the fabricated devices exhibit a fill factor over 80% and an efficiency of 18.72%, which is one of the top efficiencies for binary OSCs. In conclusion, insights and a methodology is provided here to manipulate the organic donor/acceptor phase separation in terms of mixing Gibbs free energy.

14 SOLAR ENERGY↗
DOE OSTI2021

Modelling a compressible packed bed flow-through washing and deacetylation reactor for corn stover pretreatment

The deacetylation process is a key step in the lignocellulosic biomass pretreatment process that currently is done in batch reactors. A flow-through diffuser type reactor is a promising approach to make the process more efficient and economically favorable. A washing step before deacetylation can further reduce chemical usage and increase the process efficiency. However, the highly compacted biomass particles can cause significant pressure-drop for fluid flow through the bed, which in the worst case can cause self-enhancing pressure-drop leading to reactor blocking. Detailed understanding of the fundamentals of flow through a compressible packed bed is necessary to scale up the washing and deacetylation process. This work closely examines the classical Kozeny Carman equation and proposes modifications to accurately predict the pressure-drop at different compaction states. Here, a compressible packed bed model is further developed based on the interaction between solid mechanics and fluid dynamics. Experimental measurements of water flow through a packed bed of corn stover show good agreement with the developed model. Corn stover washing process scale up simulations show that smaller reactor diameter, higher friction lining material, lower process throughput, and higher process temperature is favorable in stabilizing the bed from extensive compression when the bed height is fixed.

09 BIOMASS FUELS↗
NASA NTRS1979

Convective heat transfer during dendritic growth

Axial growth rate measurements were carried out at 17 levels of supercooling between 0.043 C and 2 C, a temperature range in which convection, instead of diffusion, becomes the controlling mechanism of heat transfer in the dentritic growth process. The growth velocity, normalized to that expected for pure diffusive heat transfer, displays a dependence on orientation. The ratio of the observed growth velocity to that for convection-free growth and the coefficients of supercooling are formulated. The dependence of normalized growth rate in supercooling is described for downward growing dendrites. These experimental correlations can be justified theoretically only to a limited extent.

Glicksman, M. E.↗