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At least 757 records · Page 42

Modeling detonation with CartaBlanca simulations

The accurate modeling of high explosive (HE) detonation and the con- sequent large solid deformation, failure, plastic flow, porosity growth, and shock wave propagation is important because simulations can capture spatial and temporal features that experimental diagnostics cannot capture. However, the simulation of the explosive event poses challenges to a computational scientist. These include the accurate modeling of ductile damage, crack formation, plastic deformation, as well as physical and nu- merical instabilities. The material response can be history-dependent and subject to large material deformation. Our research simulates the impact of a high explosive (Detasheet) onto a tantulum metal plate. We performed the simulations using CartaBlanca at different mesh resolutions. We decided the study would be impactful if we perform the simulations with the Material Point Method. Differences were observed at the different mesh resolutions in velocity and nodal stress magnitude, so increased mesh resolutions may be required. In addition, the Discontinuous Galerkin method would be needed to account for the large gas expansion.

97 MATHEMATICS AND COMPUTING↗

From Regolith to Living Off the Land: Formulating a Data Model to Catalog Lunar Construction Materials

Artemis Program objectives for sustainable, long-term presence on the Moon and more distant planetary surfaces will require learning to “Live off the Land”, relying on in-situ resource utilization to produce infrastructure and building materials from lunar regolith, icy subsurface deposits, and residual waste materials. Meeting demand for consumables while scaling development with resources found within the landing zone will require detailed data on the geology and environment of the lunar surface. Lunar infrastructure development will generate vast amounts of new engineering data regarding availability of processed feedstocks and their performance in building materials. Lunar engineering data accessible to program partners, research institutions and industry may help situate processes and specifications within the in-situ GIS context. Lunar missions to date have generated geological and ice favorability maps of the lunar surface, and recent technology studies have tested automated construction systems and novel material formulations using regolith simulants and binders. Current discussions focus on identifying key feedstocks, quantities required for nominal mission scenarios and infrastructure plans, and mapping the value chain from regolith to feedstock to consumables and construction materials.

lunar construction↗

From Regolith to Living Off the Land: Formulating a Data Model to Catalog Lunar Construction Materials

Artemis Program objectives for sustainable, long-term presence on the Moon and more distant planetary surfaces will require learning to “Live off the Land”, relying on in-situ resource utilization to produce infrastructure and building materials from lunar regolith, icy subsurface deposits, and residual waste materials. Meeting demand for consumables while scaling development with resources found within the landing zone will require detailed data on the geology and environment of the lunar surface. Lunar infrastructure development will generate vast amounts of new engineering data regarding availability of processed feedstocks and their performance in building materials. Lunar engineering data accessible to program partners, research institutions and industry may help situate processes and specifications within the in-situ GIS context. Lunar missions to date have generated geological and ice favorability maps of the lunar surface, and recent technology studies have tested automated construction systems and novel material formulations using regolith simulants and binders. Current discussions focus on identifying key feedstocks, quantities required for nominal mission scenarios and infrastructure plans, and mapping the value chain from regolith to feedstock to consumables and construction materials.

lunar construction↗

Technology development of fabrication techniques for advanced solar dynamic concentrators

The objective of the advanced concentrator program is to develop the technology that will lead to lightweight, highly reflective, accurate, scaleable, and long lived space solar dynamic concentrators. The advanced concentrator program encompasses new and innovative concepts, fabrication techniques, materials selection, and simulated space environmental testing. Fabrication techniques include methods of fabricating the substrates and coating substrate surfaces to produce high quality optical surfaces, acceptable for further coating with vapor deposited optical films. The selected materials to obtain a high quality optical surface include microsheet glass and Eccocoat EP-3 epoxy, with DC-93-500 selected as a candidate silicone adhesive and levelizing layer. The following procedures are defined: cutting, cleaning, forming, and bonding microsheet glass. Procedures are also defined for surface cleaning, and EP-3 epoxy application. The results and analyses from atomic oxygen and thermal cycling tests are used to determine the effects of orbital conditions in a space environment.

Richter, Scott W.↗

Development of Large Scale Extrusion Deposition for Structural Applications

Large Scale Extrusion Deposition (LSED) is an evolving additive manufacturing (AM) technology that research, such as that taking place at Oak Ridge National Laboratory (ORNL) and companies like Local Motors, are continuing to utilize and develop new applications. A major LSED application of interest has been molds and tooling as it allows for much shorter production time and lower cost. However, interest has been expanding into using LSED for more structural applications due to more frequent use of high performing polymer composites as feedstock. The use of LSED for structural applications is of particular interest to Local Motors as it is currently being used to create commercially viable, energy efficient electric vehicles. LSED offers a unique opportunity when compared to traditional manufacturing methods as it can significantly reduce the number of components necessary, while decreasing embodied energy and carbon emissions. Even with these benefits however, it is important that LSED is properly understood from a structural aspect as this field has not been as heavily researched as tooling. To ensure a high level of safety and repeatability is an essential responsibility of a manufacturer whose products are structural in nature. As such it is important to understand the materials and LSED process to make structural objects that the manufacturer can be confident in. The main goals of this project were to: develop and investigate materials that are of interest for structural LSED applications, further develop and understand the current machines used in LSED and develop simulations tools of LSED and the mechanical properties of the created structure. Material development focused on composite materials that have high mechanical properties and are stable in a variety of environments. The materials were tested to determine their as printed mechanical and thermal properties as these are necessary for simulations. Once the materials were investigated thoroughly, it allowed for simulations to be performed to compare to experimental data with simulations. Materials were also vetted to determine candidates for multi-material printing. The machine development focused around the areas of process monitoring, non-destructive evaluation, and quality control. Finally, the goal of the simulations was to develop a realistic model of printed structures, including in-process simulation and dynamic simulation. The routes to get to some of these goals and the depth in which they were investigated changed throughout the project due to personnel changes and the COVID-19 pandemic. This project resulted in many valuable results such as the development of an nondestructive evaluation (NDE) technique for interlayer defects, proof of simulation for warpage in simple parts, the development and utilization of a profilometer to monitor a print for defects or inconsistencies, thorough investigation of a material used commercially for structural LSED applications and valuable experimental data on the applicability and advantages of multi-material crush structures versus their neat counterparts by creation and testing of samples.

36 MATERIALS SCIENCE↗

Probing Accuracy-Speedup Tradeoff in Machine Learning Surrogates for Molecular Dynamics Simulations

The performance promise of machine learning surrogates of molecular dynamics simulations of soft materials is significant but generally comes at the cost of acquiring large training datasets to learn the complex relationships between input soft material attributes and output properties. Under the constraint of limited high-performance computing resources, optimizing the size of the training datasets becomes paramount. Using an artificial neural network based surrogate for molecular dynamics simulations of confined electrolytes, we explore the tradeoff between surrogate accuracy and computational gains. Accuracy is assessed by computing the root-mean-square errors between the surrogate predictions and the ground truth results obtained via molecular dynamics simulations. The computational performance is judged by evaluating the speedup which incorporates the training dataset creation time. Improvement in accuracy occurs with a loss of speedup, which scales as the inverse of the training dataset size. Furthermore, the link between surrogate generalizability and the accuracy-speedup tradeoff is assessed by examining the errors incurred in surrogate predictions on unseen, interpolated input variables and developing a net speedup metric to capture the associated gains.

Anions↗

Technology development of fabrication techniques for advanced solar dynamic concentrators

The objective of the advanced concentrator program is to develop the technology that will lead to lightweight, highly reflective, accurate, scaleable, and long lived space solar dynamic concentrators. The advanced concentrator program encompasses new and innovative concepts, fabrication techniques, materials selection, and simulated space environmental testing. Fabrication techniques include methods of fabricating the substrates and coating substrate surfaces to produce high-quality optical surfaces, acceptable for further coating with vapor deposited optical films. The selected materials to obtain a high quality optical surface include microsheet glass and Eccocoat EP-3 epoxy, with DC-93-500 selected as a candidate silicone adhesive and levelizing layer. The following procedures are defined: cutting, cleaning, forming, and bonding microsheet glass. Procedures are also defined for surface cleaning, and EP-3 epoxy application. The results and analyses from atomic oxygen and thermal cycling tests are used to determine the effects of orbital conditions in a space environment.

Richter, Scott W.↗

Material Model Evaluation of a Composite Honeycomb Energy Absorber

A study was conducted to evaluate four different material models in predicting the dynamic crushing response of solid-element-based models of a composite honeycomb energy absorber, designated the Deployable Energy Absorber (DEA). Dynamic crush tests of three DEA components were simulated using the nonlinear, explicit transient dynamic code, LS-DYNA . In addition, a full-scale crash test of an MD-500 helicopter, retrofitted with DEA blocks, was simulated. The four material models used to represent the DEA included: *MAT_CRUSHABLE_FOAM (Mat 63), *MAT_HONEYCOMB (Mat 26), *MAT_SIMPLIFIED_RUBBER/FOAM (Mat 181), and *MAT_TRANSVERSELY_ANISOTROPIC_CRUSHABLE_FOAM (Mat 142). Test-analysis calibration metrics included simple percentage error comparisons of initial peak acceleration, sustained crush stress, and peak compaction acceleration of the DEA components. In addition, the Roadside Safety Verification and Validation Program (RSVVP) was used to assess similarities and differences between the experimental and analytical curves for the full-scale crash test.

Jackson, Karen E.↗

Possibility of using sources of vacuum ultraviolet irradiation to solve problems of space material science

An urgent problem in space materials science is simulating the interaction of vacuum ultraviolet (VUV) of solar emission with solids in space conditions, that is, producing a light source with a distribution that approximates the distribution of solar energy. Information is presented on the distribution of the energy flux of VUV of solar radiation. Requirements that must be satisfied by the VUV source used for space materials science are formulated, and a critical evaluation is given of the possibilities of using existing sources for space materials science. From this evaluation it was established that none of the sources of VUV satisfies the specific requirements imposed on the simulator of solar radiation. A solution to the problem was found to be in the development of a new type of source based on exciting a supersonic gas jet flowing into vacuum with a sense electron beam. A description of this gas-jet source, along with its spectral and operation characteristics, is presented.

Verkhoutseva, E. T.↗

Solar Tests of Aperture Plate Materials for Solar Thermal Dish Collectors

If a malfunction occurs in a solar thermal point-focus distributed receiver power plant while a concentrator is pointed at the Sun, motion of the concentrator may stop. As the Sun moves relative to the Earth, the spot of concentrated sunlight then slowly walks off the receiver aperture, across the receiver face plate, and perhaps across adjacent portions of the concentrator. Intense local heating by the concentrated sunlight may damage or destroy these parts. The behavior of various materials under conditions simulating walk-off of a parabolic dish solar collector were evaluated. Each test consisted of exposure to concentrated sunlight at a peak flux density of about 7000 kW/square meter for 15 minutes. Types of materials tested included graphite, silicon carbide, silica, various silicates, alumina, zirconia, aluminum, copper, steel, and polytetrafluoroethylene. The only material that neither cracked nor melted was grade G-90 graphite. Grade CS graphite, a lower cost commercial grade, cracked half-way across, but did not fall apart. Both of these grades are medium-grain extruded graphites. A graphite cloth (graphitized polyacrylonitrile) showed fair performance when tested as a single thin ply; it might be useful as a multi-ply assembly. High purity slipcast silica showed some promise also.

Jaffe, L. D.↗

Solar tests of aperture plate materials for solar thermal dish collectors

If a malfunction occurs in a solar thermal point-focus distributed receiver power plant while a concentrator is pointed at the sun, motion of the concentrator may stop. As the sun moves relative to the earth, the spot of concentrated sunlight then slowly walks off the receiver aperture, across the receiver face plate, and perhaps across adjacent portions of the concentrator. Intense local heating by the concentrated sunlight may damage or destroy these parts. The behavior of various materials under conditions simulating walk-off of a parabolic dish solar collector were evaluated. Each test consisted of exposure to concentrated sunlight at a peak flux density of about 7000 kW/square meter for 15 minutes. Types of materials tested included graphite, silicon carbide, silica, various silicates, alumina, zirconia, aluminum, copper, steel, and polytetrafluroethylene. The only material that neither cracked nor melted was grade G-90 graphite. Grade CS graphite, a lower cost commercial grade, cracked half-way across, but did not fail apart. Both of these grades are medium-grain extruded graphites. A graphite cloth (graphitized polyacrylonitrile) showed fair performance when tested as a single thin ply; it might be useful as a multi-ply assembly. High purity slipcast silica showed some promise also.

Jaffe, L. D.↗

Solar tests of aperture plate materials for solar thermal dish collectors

If a malfunction occurs in a solar thermal point-focus distributed receiver power plant while a concentrator is pointed at the sun, motion of the concentrator may stop. As the sun moves relative to the earth, the spot of concentrated sunlight then slowly walks off the receiver aperture, across the receiver face plate, and perhaps across adjacent portions of the concentrator. Intense local heating by the concentrated sunlight may damage or destroy these parts. The behavior of various materials under conditions simulating walk-off of a parabolic dish solar collector were evaluated. Each test consisted of exposure to concentrated sunlight at a peak flux density of about 7000 kW/square meter for 15 minutes. Types of materials tested included graphite, silicon carbide, silica, various silicates, alumina, zirconia, aluminum, copper, steel, and polytetrafluoroethylene. The only material that neither cracked nor melted was grade G-90 graphite. Grade CS graphite, a lower cost commercial grade, cracked half-way across, but did not fall apart. Both of these grades are medium-grain extruded graphites. A graphite cloth (graphitized polyacrylonitrile) showed fair performance when tested as a single thin ply; it might be useful as a multi-ply assembly. High purity slipcast silica showed some promise also.

Jaffe, L. D.↗

Code interoperability extends the scope of quantum simulations

The functionality of many materials is critically dependent on the integration of dissimilar components and on the interfaces that arise between them. The description of such heterogeneous components requires the development and deployment of first principles methods, coupled to appropriate dynamical descriptions of matter and advanced sampling techniques, in order to capture all the relevant length and time scales of importance to the materials’ performance. It is thus essential to build simple, streamlined computational schemes for the prediction and design of multiple properties of broad classes of materials, by developing interoperable codes which can be efficiently coupled to each other to perform complex tasks. We discuss the use of interoperable codes to simulate the structural and spectroscopic characterization of materials, including chemical reactions for catalysis, the description of defects for quantum information science, and heat and charge transport.

36 MATERIALS SCIENCE↗

Physics guided machine learning for multi-material decomposition of tissues from dual-energy CT scans of simulated breast models with calcifications

We introduce a physics guided data-driven method for image-based multi-material decomposition for dual-energy computed tomography (CT) scans. The method is demonstrated for CT scans of virtual human phantoms containing more than two types of tissues. The method is a physics-driven supervised learning technique. We take advantage of the mass attenuation coefficient of dense materials compared to that of muscle tissues to perform a preliminary extraction of the dense material from the images using unsupervised methods. We then perform supervised deep learning on the images processed by the extracted dense material to obtain the final multi-material tissue map. The method is demonstrated on simulated breast models with calcifications as the dense material placed amongst the muscle tissues. The physics-guided machine learning method accurately decomposes the various tissues from input images, achieving a normalized root-mean-squared error of 2.75%.

Gopalakrishnan Meena, Murali↗

Climate effects of future aerosol reductions for achieving carbon neutrality in China

To limit the global warming to 1.5 °C above pre-industrial levels, beyond which the most dangerous impacts of climate change will occur, achieving carbon neutrality by the mid-21st century is essential. As the largest developing country and a significant contributor to carbon dioxide (CO 2 ) emissions, China has announced its ambitious climate commitment to pass carbon peak before 2030 and to achieve carbon neutrality by 2060. Both climate policies and regional clean air actions have been implemented for reductions in fossil fuel emissions, including the emissions of short-lived aerosols and precursors. Furthermore, in the context of pursuing carbon neutrality in China, aerosol reductions due to clean air actions and pollution control policies are very likely to have a great impact on climate. In this study, climate effects of aerosol reductions due to China's clean air actions under localized future emission scenarios are investigated using the Community Earth System Model version 1 (CESM1). Fully coupled and atmosphere-only experiments in years of carbon peak (2030) and carbon neutrality (2060) are performed with anthropogenic emissions of aerosols and precursors under “Current-goals” (Current) and “Carbon-Neutral” (Neutral) scenarios from the Dynamic Projection for Emissions in China (DPEC) model that consider socioeconomic development, climate policy, and pollution control actions (Figs. S1–S4 online). In addition, a present-day emissions simulation (PD) is conducted as the reference case (Supplementary materials online). Another sensitivity simulation is also conducted, with black carbon (BC) emissions set to follow the Neutral experiment but other emissions kept at the present-day levels (Neutral_BC), to quantify the relative roles of reducing strongly absorbing BC and other aerosols on future climate towards carbon neutrality. Greenhouse gases concentrations are kept at the 2015 levels in all simulations (Text S1 online).

Yang, Yang↗

Computer simulation program is adaptable to industrial processes

The Reaction kinetics ablation program /REKAP/, developed to simulate ablation of various materials, provides mathematical formulations for computer programs which can simulate certain industrial processes. The programs are based on the use of nonsymmetrical difference equations that are employed to solve complex partial differential equation systems.

Schultz, F. E.↗

Multi-disciplinary coupling for integrated design of propulsion systems

Effective computational simulation procedures are described for modeling the inherent multi-disciplinary interactions for determining the true response of propulsion systems. Results are presented for propulsion system responses including multi-discipline coupling effects via (1) coupled multi-discipline tailoring, (2) an integrated system of multidisciplinary simulators, (3) coupled material-behavior/fabrication-process tailoring, (4) sensitivities using a probabilistic simulator, and (5) coupled materials/structures/fracture/probabilistic behavior simulator. The results show that the best designs can be determined if the analysis/tailoring methods account for the multi-disciplinary coupling effects. The coupling across disciplines can be used to develop an integrated interactive multi-discipline numerical propulsion system simulator.

Chamis, C. C.↗

A space simulation test chamber development for the investigation of radiometric properties of materials

The design, fabrication, and preliminary utilization of a thermal vacuum space simulation facility are discussed. The facility was required to perform studies on the thermal radiation properties of materials. A test chamber was designed to provide high pumping speed, low pressure, a low photon level radiation background (via high emissivity, coated, finned cryopanels), internal heat sources for rapid warmup, and rotary and linear motion of the irradiated materials specimen. The radiation detection system consists of two wideband infrared photoconductive detectors, their cryogenic coolers, a cryogenic-cooled blackbody source, and a cryogenic-cooled optical radiation modulator.

Enlow, D. L.↗