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At least 415 records · Page 23

Joint Test Report For Validation of Alternatives to Aliphatic Isocyanate Polyurethanes

National Aeronautics and Space Administration (NASA) and Air Force Space Command (AFSPC) have similar missions and therefore similar facilities and structures in similar environments. The standard practice for protecting metallic substrates in atmospheric environments is the application of an applied coating system. The most common topcoats used in coating systems are polyurethanes that contain isocyanates. Isocyanates are classified as potential human carcinogens and are known to cause cancer in animals. The primary objective of this effort was to demonstrate and validate alternatives to aliphatic isocyanate polyurethanes resulting in one or more isocyanate-free coatings qualified for use at AFSPC and NASA installations participating in this project. This joint Test Report (JTR) documents the results of the laboratory and field testing as well as any test modifications made during the execution of the testing. The technical stakeholders agreed upon test procedure modifications documented in this document. This JTR is made available as a reference for future pollution prevention endeavors by other NASA centers, the Department of Defense and commercial users to minimize duplication of effort. All coating system candidates were tested using approved NASA and AFSPC standard coating systems as experimental controls. This study looked at eight alternative coating systems and two control coating systems and was divided into Phase I Screening Tests, Phase II Tests, and Field Testing. The Phase I Screening Tests were preliminary tests performed on all the selected candidate coating systems. Candidate coating systems that did not meet the acceptance criteria of the screening tests were eliminated from further testing. Phase I Screening Tests included: Ease of Application, Surface Appearance, Dry-To-Touch (Sanding), Accelerated Storage Stability, Pot Life (Viscosity), Cure Time (Solvent Rubs), Cleanability, Knife Test, Tensile (pull-off) Adhesion, and X-Cut Adhesion by Wet Tape After a review of the Phase I test results, four of the alternative coating systems showed substandard performance in relation to the Control Systems and were eliminated from the Phase II testing. Due to the interest of stakeholders and time constraints, however, all eight alternatives were subjected to the following Phase II tests, along with field testing at Stennis Space Center (SSC), Mississippi: Hypergol Compatibility, Liquid Oxygen Compatibility, 18-Month Marine Exposure (Gloss Retention, Color Retention, Blistering, Visual Corrosion, Creepage from Scribe, Heat Adhesion), and Field Exposure (6- and 12-month Evaluation for Coating Condition, Color Retention, Gloss Retention). The remaining four alternative coating systems determined to be the best viable alternatives were carried on to Phase II testing that included: Removability, Repairability, Abrasion Resistance, Gravelometer, Fungus Resistance, Accelerated Weathering, Mandrel Bend Flexibility, and Cyclic Corrosion Resistance. Of the systems that continued to Phase II, three (3) alternative coating systems meet the performance requirements as identified by stakeholders. Two (2) other systems, that were not included in Phase II testing, performed well enough on the 18-Month Marine Exposure, the primary requirement for NASA technical standard NASA-STD-5008, Protective Coating of Carbon Steel, Stainless Steel, and Aluminum on Launch Structures, Facilities, and Ground Support Equipment, that they were also considered to be successful candidates. In total, five (5) alternative coating systems were approved for inclusion in the NASA-STD- 5008 Qualified Products List (QPL). The standard is intended to provide a common framework for consistent practices across NASA and is often used by other entities. The standard's QPL does not connote endorsement of the products by NASA, but lists those products that have been tested and meet the requirements as specified.

Lewis, Pattie↗

Mission Reliability Estimation for Repairable Robot Teams

A mission reliability estimation method has been designed to translate mission requirements into choices of robot modules in order to configure a multi-robot team to have high reliability at minimal cost. In order to build cost-effective robot teams for long-term missions, one must be able to compare alternative design paradigms in a principled way by comparing the reliability of different robot models and robot team configurations. Core modules have been created including: a probabilistic module with reliability-cost characteristics, a method for combining the characteristics of multiple modules to determine an overall reliability-cost characteristic, and a method for the generation of legitimate module combinations based on mission specifications and the selection of the best of the resulting combinations from a cost-reliability standpoint. The developed methodology can be used to predict the probability of a mission being completed, given information about the components used to build the robots, as well as information about the mission tasks. In the research for this innovation, sample robot missions were examined and compared to the performance of robot teams with different numbers of robots and different numbers of spare components. Data that a mission designer would need was factored in, such as whether it would be better to have a spare robot versus an equivalent number of spare parts, or if mission cost can be reduced while maintaining reliability using spares. This analytical model was applied to an example robot mission, examining the cost-reliability tradeoffs among different team configurations. Particularly scrutinized were teams using either redundancy (spare robots) or repairability (spare components). Using conservative estimates of the cost-reliability relationship, results show that it is possible to significantly reduce the cost of a robotic mission by using cheaper, lower-reliability components and providing spares. This suggests that the current design paradigm of building a minimal number of highly robust robots may not be the best way to design robots for extended missions.

Trebi-Ollennu, Ashitey↗

JPEG 2000 Encoding with Perceptual Distortion Control

An alternative approach has been devised for encoding image data in compliance with JPEG 2000, the most recent still-image data-compression standard of the Joint Photographic Experts Group. Heretofore, JPEG 2000 encoding has been implemented by several related schemes classified as rate-based distortion-minimization encoding. In each of these schemes, the end user specifies a desired bit rate and the encoding algorithm strives to attain that rate while minimizing a mean squared error (MSE). While rate-based distortion minimization is appropriate for transmitting data over a limited-bandwidth channel, it is not the best approach for applications in which the perceptual quality of reconstructed images is a major consideration. A better approach for such applications is the present alternative one, denoted perceptual distortion control, in which the encoding algorithm strives to compress data to the lowest bit rate that yields at least a specified level of perceptual image quality. Some additional background information on JPEG 2000 is prerequisite to a meaningful summary of JPEG encoding with perceptual distortion control. The JPEG 2000 encoding process includes two subprocesses known as tier-1 and tier-2 coding. In order to minimize the MSE for the desired bit rate, a rate-distortion- optimization subprocess is introduced between the tier-1 and tier-2 subprocesses. In tier-1 coding, each coding block is independently bit-plane coded from the most-significant-bit (MSB) plane to the least-significant-bit (LSB) plane, using three coding passes (except for the MSB plane, which is coded using only one "clean up" coding pass). For M bit planes, this subprocess involves a total number of (3M - 2) coding passes. An embedded bit stream is then generated for each coding block. Information on the reduction in distortion and the increase in the bit rate associated with each coding pass is collected. This information is then used in a rate-control procedure to determine the contribution of each coding block to the output compressed bit stream.

Watson, Andrew B.↗

HPC-NMF: A High-Performance Parallel Algorithm for Nonnegative Matrix Factorization

NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient distributed algorithms to solve the problem for big data sets. We propose a high-performance distributed-memory parallel algorithm that computes the factorization by iteratively solving alternating non-negative least squares (NLS) subproblems for $\WW$ and $\HH$. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). As opposed to previous implementation, our algorithm is also flexible: It performs well for both dense and sparse matrices, and allows the user to choose any one of the multiple algorithms for solving the updates to low rank factors $\WW$ and $\HH$ within the alternating iterations.

Kannan, Ramakrishnan↗

On domain symmetry and its use in homogenization

The present study focuses on solving partial differential equations in domains exhibiting symmetries and periodic boundary conditions for the purpose of homogenization. We show in a systematic manner how the symmetry can be exploited to significantly reduce the complexity of the problem and the computational burden. This is especially relevant in inverse problems, when one needs to solve the partial differential equation (the primal problem) many times in an optimization algorithm. The main motivation of our study is inverse homogenization used to design architected composite materials with novel properties which are being fabricated at ever increasing rates thanks to recent advances in additive manufacturing. For example, one may optimize the morphology of a two-phase composite unit cell to achieve isotropic homogenized properties with maximal bulk modulus and minimal Poisson ratio. Typically, the isotropy is enforced by applying constraints to the optimization problem. However, in two dimensions, one can alternatively optimize the morphology of an equilateral triangle and then rotate and reflect the triangle to form a space filling D 3 symmetric hexagonal unit cell that necessarily exhibits isotropic homogenized properties. One can further use this D 3 symmetry to reduce the computational expense by performing the “unit strain” periodic boundary condition simulations on the single triangle symmetry sector rather than the six fold larger hexagon. In this paper we use group representation theory to derive the necessary periodic boundary conditions on the symmetry sectors of unit cells. The developments are done in a general setting, and specialized to the two-dimensional dihedral symmetries of the abelian D 2 , i.e. orthotropic, square unit cell and nonabelian D 3 , i.e. trigonal, hexagon unit cell. We then demonstrate how this theory can be applied by evaluating the homogenized properties of a two-phase planar composite over the triangle symmetry sector of a D 3 symmetric hexagonal unit cell.

36 MATERIALS SCIENCE↗

Carbon neutral manufacturing via on-site CO 2 recycling

The chemical industry needs to significantly decrease carbon dioxide (CO 2 ) emissions in order to meet the 2050 carbon neutrality goal. Utilization of CO 2 as a chemical feedstock for bulk products is a promising way to mitigate industrial emissions; however, CO 2 -based manufacturing is currently not competitive with the established petrochemical methods and its deployment requires creation of a new value chain. Here, we show that an alternative approach, using CO 2 conversion as an add-on to existing manufactures, can disrupt the global carbon cycle while minimally perturbing the operation of chemical plants. Proposed closed-loop on-site CO 2 recycling processes are economically viable in the current market and have the potential for rapid introduction in the industries. Retrofit-based CO 2 recycling can reduce annually between 4 and 10 Gt CO 2 by 2050 and contribute to achieving up to 50% of the industrial carbon neutrality goal.

30 DIRECT ENERGY CONVERSION↗

Economic and environmental optimization of waste treatment

Highlights: • Optimizing waste treatment by incorporating LCA methodology. • Applying different objectives (minimizing costs or GHG emissions). • Prioritizing multiple objectives given different weights. • Optimum depends on objective and assumed displaced electricity production. - Abstract: This article presents the new systems engineering optimization model, OptiWaste, which incorporates a life cycle assessment (LCA) methodology and captures important characteristics of waste management systems. As part of the optimization, the model identifies the most attractive waste management options. The model renders it possible to apply different optimization objectives such as minimizing costs or greenhouse gas emissions or to prioritize several objectives given different weights. A simple illustrative case is analysed, covering alternative treatments of one tonne of residual household waste: incineration of the full amount or sorting out organic waste for biogas production for either combined heat and power generation or as fuel in vehicles. The case study illustrates that the optimal solution depends on the objective and assumptions regarding the background system – illustrated with different assumptions regarding displaced electricity production. The article shows that it is feasible to combine LCA methodology with optimization. Furthermore, it highlights the need for including the integrated waste and energy system into the model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Hybrid biological-chemical strategy for converting polyethylene into a recyclable plastic monomer using engineered Corynebacterium glutamicum

Converting polyethylene (PE) into valuable materials, particularly ones that are better for the environment than the incumbent plastics, not only helps mitigate environmental issues caused by plastic waste but also alleviates the long-standing problem of microbial fermentation competing with food supplies. However, the inherent robustness of PE due to its strong carbon-carbon bonds and high molecular weight necessitates harsh decomposition conditions, resulting in diverse decomposition outcomes that present significant challenges for downstream applications, especially for bioconversion. In this study, we demonstrate a hybrid biological-chemical conversion process for PE, converting its decomposition products, namely short-chain diacids, into a monomer, β-keto-δ-lactone (BKDL), for highly recyclable polydiketoenimine plastics using engineered Corynebacterium glutamicum. Since BKDL synthesis requires a substantial supply of malonyl-CoA, we employed an alternative biosynthesis pathway that leverages C. glutamicum's natural proficiency in amino acid production. We optimized this pathway in vivo by minimizing carbon loss to CO2 and byproducts, improving the transporter system, and maximizing co-factor regeneration. Furthermore, we co-optimized the PE deconstruction process to produce predominantly C4 to C6 diacids and integrated three catabolic pathways into the engineered strain to enhance diacid utilization, maximizing the carbon conversion from PE. Finally, an engineered polyketide synthase was introduced into C. glutamicum to enable BKDL synthesis. This work demonstrates the potential of a chemo-biological hybrid strategy for recycling plastic waste, highlighting its promise in addressing environmental challenges and promoting sustainable materials.

Zhan, Chunjun↗

Insight into Fluorocarbon Adsorption in Metal-Organic Frameworks via Experiments and Molecular Simulations

Abstract The improvement in adsorption/desorption of hydrofluorocarbons has implications for many heat transformation applications such as cooling, refrigeration, heat pumps, power generation, etc. The lack of chlorine in hydrofluorocarbons minimizes the lasting environmental damage to the ozone, with R134a (1,1,1,2-tetrafluoroethane) being used as the primary industrial alternative to commonly used Freon-12. The efficacy of novel adsorbents used in conjunction with R134a requires a deeper understanding of the host-guest chemical interaction. Metal-organic frameworks (MOFs) represent a newer class of adsorbent materials with significant industrial potential given their high surface area, porosity, stability, and tunability. In this work, we studied two benchmark MOFs, a microporous Ni-MOF-74 and mesoporous Cr-MIL-101. We employed a combined experimental and simulation approach to study the adsorption of R134a to better understand host-guest interactions using equilibrium isotherms, enthalpy of adsorption, Henry’s coefficients, and radial distribution functions. The overall uptake was shown to be exceptionally high for Cr-MIL-101, >140 wt% near saturation while >50 wt% at very low partial pressures. For both MOFs, simulation data suggest that metal sites provide preferable adsorption sites for fluorocarbon based on favorable C-F ··· M + interactions between negatively charged fluorine atoms of R134a and positively charged metal atoms of the MOF framework.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stellarators as a fast path to fusion

Herein this paper is focused on three points: (1) overcoming obstacles to tokamak power plants may require a configuration modification as large as that of a stellarator. (2) The demonstrated reliability of the computational design of stellarators should change fusion strategy. (3) Deployment of carbon-free energy sources is mandated by the thirty-year doubling of carbon dioxide emissions. Carbon-free energy options must be developed and fully deployed within a few doubling times. Unit size and cost of electricity are only relevant in comparison to alternative worldwide energy solutions. Intermittency, site specificity, waste management, and nuclear proliferation make fusion attractive as the basis for a carbon-free energy system compared to the alternatives. Nonetheless, fusion is not an option for deployment until a power plant has successfully operated. A critical element in a minimal time and risk program is the use of computational design as opposed to just extrapolation. Only the stellarator has an empirical demonstration of the reliable computational design through large changes in configuration properties and scale. The computational design of stellarators should proceed while the inventions necessary for a more tokamak-like power plant are sought. The cost of computational design is extremely small, but adequate time is required for the development of ideas that maximize attractiveness and minimize risk. Rapid power-plant construction without many intermediate steps may seem risky, but the price is small compared to the cost of trillions of dollars for each year's delay in addressing carbon-dioxide emissions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Considerations for three-dimensional image reconstruction from experimental data in coherent diffractive imaging

Diffraction before destruction using X-ray free-electron lasers (XFELs) has the potential to determine radiation-damage-free structures without the need for crystallization. This article presents the three-dimensional reconstruction of the Melbournevirus from single-particle X-ray diffraction patterns collected at the LINAC Coherent Light Source (LCLS) as well as reconstructions from simulated data exploring the consequences of different kinds of experimental sources of noise. The reconstruction from experimental data suffers from a strong artifact in the center of the particle. This could be reproduced with simulated data by adding experimental background to the diffraction patterns. In those simulations, the relative density of the artifact increases linearly with background strength. This suggests that the artifact originates from the Fourier transform of the relatively flat background, concentrating all power in a central feature of limited extent. We support these findings by significantly reducing the artifact through background removal before the phase-retrieval step. Large amounts of blurring in the diffraction patterns were also found to introduce diffuse artifacts, which could easily be mistaken as biologically relevant features. Other sources of noise such as sample heterogeneity and variation of pulse energy did not significantly degrade the quality of the reconstructions. Larger data volumes, made possible by the recent inauguration of high repetition-rate XFELs, allow for increased signal-to-background ratio and provide a way to minimize these artifacts. The anticipated development of three-dimensional Fourier-volume-assembly algorithms which are background aware is an alternative and complementary solution, which maximizes the use of data.

47 OTHER INSTRUMENTATION↗

Improving Longitudinal Impedance of Inductive Inserts

In this article, we discuss methods for improving the longitudinal impedance of inductive inserts used for space charge compensation in the proton storage ring (PSR) at Los Alamos Neutron Science Center (LANSCE) Facility. The PSR relies on inductive inserts to counteract the capacitive impedance produced by the space charge of the proton beam, which can otherwise lead to beam debunching. Existing inductive inserts, which utilize Toshiba M4C21A ferrite, have been effective but require heating to reduce resistive components that can cause instabilities at higher frequencies. This article explores the potential of alternative ferrite materials, specifically National Magnetics C2050, to enhance the performance of these inserts by reducing the need for heating and minimizing resistive impedance. Through both analytical modeling and CST Particle Studio simulations, it is demonstrated that optimized ferrite materials and geometries can significantly improve space charge compensation while mitigating instability risks, ultimately enhancing the performance of the PSR.

43 PARTICLE ACCELERATORS↗

Improved unconstrained energy functional method for eigensolvers in electronic structure calculations

This paper reports on the performance of a preconditioned conjugate gradient based iterative eigensolver using an unconstrained energy functional minimization scheme. In contrast to standard implementations, this scheme avoids an explicit reorthogonalization of the trial eigenvectors and becomes an attractive alternative for the solution of very large problems. The unconstrained formulation is implemented in the first-principles materials and chemistry CP2K code, which performs electronic structure calculations based on a density functional theory approximation to the solution of the many-body Schrödinger equation. We study the convergence of the unconstrained formulation, as well as its parallel scaling, on a Cray XC40 at the National Energy Research Scientific Computing Center (NERSC). The systems we use in our studies are bulk liquid water, a supramolecular catalyst gold(III)-complex, a bilayer of MoS2-WSe2 and a divacancy point defect in silicon, with the number of atoms ranging from 2,247 to 12,288. We show that the unconstrained formulation with an appropriate preconditioner has good convergence properties and scales well to 230k cores, roughly 38% of the full machine.

Del Ben, M↗

Office of River Protection Advanced Low-Activity Waste Glass Research and Development Plan

The U.S. Department of Energy Office of River Protection (ORP) has initiated and leads an integrated Advanced Waste Glass (AWG) program to increase the loading of Hanford tank wastes in glass while meeting melter lifetime expectancies and process, regulatory, and product performance requirements. The integrated ORP program is focused on providing a technical, science-based foundation for making key decisions regarding the successful operation of the Hanford Tank Waste Treatment and Immobilization Plant (WTP) facilities in the context of an optimized River Protection Project (RPP) flowsheet. The fundamental data stemming from this program will support development of advanced glass formulations, key product performance and process control models, and tactical processing strategies to ensure safe and successful operations for both the low-activity waste (LAW) and high-level waste vitrification facilities. These activities will be conducted with the objective of improving the overall RPP mission by enhancing flexibility and reducing cost and schedule. The purpose of this advanced LAW glass research and development plan is to identify the near-term, mid-term, and longer-term research and development activities required to develop and validate advanced LAW glasses, property-composition models and their uncertainties, and an advanced glass algorithm to support WTP facility operations, including both Direct Feed LAW and full pretreatment flowsheets. Data are needed to develop, validate, and implement 1) new glass property-composition models and 2) a new glass formulation algorithm. Hence, this plan integrates specific studies associated with increasing the Na2O and SO3/halide concentrations in glass, because these components will ultimately dictate waste loadings for LAW vitrification. Of equal importance is the development of an efficient and economic strategy for 99Tc management. Specific and detailed studies are being implemented to understand the fate of Tc throughout the WTP flowsheet and the underlying mechanisms that dictate its partitioning between streams within the LAW vitrification facility. These studies are aimed at increasing the single-pass Tc retention in glass and the potential use of high-temperature mineral phases to capture Tc. The Tc-bearing mineral phases would be thermally stable and resistant to Tc release during feed melting reactions or they could serve as alternative waste forms. The LAW glass research and development is focused on reducing the total volume of LAW glass produced and minimizing the impact of (or potentially eliminating) the need for recycle.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Investigation of Anion-Exchange Method for Purification of Fission-Produced 99 Mo

The LEU-Modified Cintichem (LMC) process is a small-scale (50- to 100-mL) method for purifying fission-produced 99 Mo. Traditionally, the process utilizes custom-made glassware and requires significant manual operations with hot cell manipulators. As an alternative to the LMC process, there is great interest in developing a 99 Mo purification method that could be automated to minimize remote handling while achieving the same purity specifications for the 99 Mo product. This report explores an ion-exchange approach to purifying fission-produced 99 Mo and discusses the decontamination factors for various fission products that are present after initial recovery of Mo on a titania column from a sulfate-based and uranium-containing solution.

07 ISOTOPE AND RADIATION SOURCES↗

A fast Euler solver for steady flows

A numerical technique to solve the Euler equations for steady, two-dimensional flows is presented. The technique extends to two-dimensional problems a formulation which was found to be extremely efficient for one-dimensional flows. Generalized Riemann variables are defined along two families of orthogonal coordinates, and integrated separately, sweeping back and forth alternatively along coordinate lines. The technique is second-order accurate and converges very rapidly. In addition, each step requires a minimal number of operations. Preliminary results for subsonic and transonic shockless flows are presented and discussed.

Moretti, G.↗

Thermally Insulating Support for Cryogenic Tanks

Passive alternate-load-path support scheme keeps weight low while conserving cryogenic liquid. Method of supporting inner vessel of large Dewar container minimizes heat conductance and weight but ensures high strength and impact resistance. Accommodates thermal expansion and contraction of vessel while introducing minimal stresses in structure. Inner vessel hangs from struts in outer vessel. Thin wall graphite/epoxy tube protected from high loads by close tolerance stops.

Parmley, Richard T.↗

Fast Multilevel Implementation of Recursive Spectral Bisection for Partitioning Unstructured Problems

If problems involving unstructured meshes are to be solved efficiently on distributed-memory parallel computers, the meshes must be partitioned and distributed across processors in a way that balances tile computational load and minimizes communication. The recursive spectral bisection method (RSB) has been shown to be very effective for such partitioning problems compared to alternative methods, but RSB in its simplest form is expensive. Here a multilevel version of RSB is introduced that attains about an order-of-magnitude improvement in run time on typical examples.

Barnard, Stephen T.↗