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Arnold, Steven

Publications and source records attributed to Arnold, Steven.

Evolution of the SARS-CoV -2 proteome in three dimensions (3D) during the first 6 months of the COVID -19 pandemic

Understanding the molecular evolution of the SARS-CoV-2 virus as it continues to spread in communities around the globe is important for mitigation and future pandemic preparedness. Three-dimensional structures of SARS-CoV-2 proteins and those of other coronavirusess archived in the Protein Data Bank were used to analyze viral proteome evolution during the first 6 months of the COVID-19 pandemic. Analyses of spatial locations, chemical properties, and structural and energetic impacts of the observed amino acid changes in >48 000 viral isolates revealed how each one of 29 viral proteins have undergone amino acid changes. Catalytic residues in active sites and binding residues in protein–protein interfaces showed modest, but significant, numbers of substitutions, highlighting the mutational robustness of the viral proteome. Energetics calculations showed that the impact of substitutions on the thermodynamic stability of the proteome follows a universal bi-Gaussian distribution. Here detailed results are presented for potential drug discovery targets and the four structural proteins that comprise the virion, highlighting substitutions with the potential to impact protein structure, enzyme activity, and protein–protein and protein–nucleic acid interfaces. Characterizing the evolution of the virus in three dimensions provides testable insights into viral protein function and should aid in structure-based drug discovery efforts as well as the prospective identification of amino acid substitutions with potential for drug resistance.

59 BASIC BIOLOGICAL SCIENCES↗

Weibull-Based Stochastic Simulation of Mud-Crack Damage Formation in an Environmental Barrier Coating

The integrated Finite Element Analysis Micromechanics Analysis Code/Ceramics Analysis and Reliability Evaluation of Structures (FEAMAC/CARES) program was used to simulate the formation of mudflat-cracks from thermomechanical loading on a multi-layered Environmental Barrier Coating (EBC) system deposited on a ceramic substrate. FEAMAC/CARES combines MAC/GMC (Micromechanics Analysis Code/Generalized Method of Cells) multiscale composite micromechanics code with CARES/Life probabilistic multiaxial failure criteria code and Abaqusfinite element analysis. In this work, step function elastic modulus reduction of randomly damaged finite elements was used to represent discrete cracking events. The use of many small-sized low-aspect-ratio finite elements enabled the depiction of crack boundaries and formation of mudflat patterned damage. Demonstrated examples include finite element models of button-sized disk-shaped 3-D specimen, and a 2-D model of through-the-thickness cross-section. All models were subjected to a progressive cool down from 1300 degrees Centigrade to room temperature. Mudflat crack damage in the coating system resulted from the buildup of residual tensile stresses between the individual material constituents from thermal expansion mismatch. A 2-parameter Weibull distribution characterized the coating layer stochastic strength response and the effect of the Weibull modulus on the formation of damage was studied here.

Residual Tensile Stress↗

FEAMAC/CARES Stochastic-Strength-Based Damage Simulation Tool for Ceramic Matrix Composites

Reported here is a coupling of two NASA developed codes: CARES (Ceramics Analysis and Reliability Evaluation of Structures) with the MAC/GMC (Micromechanics Analysis Code/ Generalized Method of Cells) composite material analysis code. The resulting code is called FEAMAC/CARES and is constructed as an Abaqus finite element analysis UMAT (user defined material). Here we describe the FEAMAC/CARES code and an example problem (taken from the open literature) of a laminated CMC in off-axis loading is shown. FEAMAC/CARES performs stochastic-strength-based damage simulation response of a CMC under multiaxial loading using elastic stiffness reduction of the failed elements.

composite structures↗

Stochastic-Strength-Based Damage Simulation Tool for Ceramic Matrix Composite

Reported here is a coupling of two NASA developed codes: CARES (Ceramics Analysis and Reliability Evaluation of Structures) with the MAC/GMC (Micromechanics Analysis Code/ Generalized Method of Cells) composite material analysis code. The resulting code is called FEAMAC/CARES and is constructed as an Abaqus finite element analysis UMAT (user defined material). Here we describe the FEAMAC/CARES code and an example problem (taken from the open literature) of a laminated CMC in off-axis loading is shown. FEAMAC/CARES performs stochastic-strength-based damage simulation response of a CMC under multiaxial loading using elastic stiffness reduction of the failed elements.

ceramic matrix composites↗

Out of This World Science, Down to Earth Prices

The National Aeronautics and Space Administration (NASA), along with the rest of government and the nation have become increasing cost conscious in recent years. This has resulted in renewed efforts at finding ways to do more with less. Planetary science is no exception. The 2013 Decadal Survey for Planetary Science made great efforts to understand the costs of proposed missions. The community has been asked to develop more affordable versions of mission concepts, especially in the flagship category. Many in the community continue to encourage NASA to prioritize lower cost missions at a more frequent cadence over fewer but larger missions. This presentation discusses a new tool in the planetary science arsenal to achieve a broad set of planetary science questions at costs that are lower, and in some cases dramatically lower, than other options in the past. Technology advances in pointing systems and the growing capabilities of stratospheric balloons, such as the ultra-long duration flights, have caught the attention of many in the planetary science community. A workshop was held in January 2012 to help planetary scientists and NASA better understand the capabilities of balloon borne platforms, along with their strengths and limitations. Perhaps most importantly, the workshop focused on the potential science that could be achieved. The science and engineering participants discussed what, if any, science can be achieved and why or how balloon platforms would offer an advantage. Since that first workshop, not only have further discussions and studies occurred within the community, but demonstration missions have been flown with compelling results. These balloon missions have shown that the science envisioned can indeed be achievable, that balloon platforms do offer some unique advantages; and that repeated flights can be implemented at relatively low cost. The presentation briefly summarizes the potential science and the characteristics of a balloon based observatory that make it desirable for some science investigations. The recent missions are described along with some of their challenges and achievements. Finally, a brief summary of options moving forward are considered.

Planetary Science↗

FEAMAC-CARES Software Coupling Development Effort for CMC Stochastic-Strength-Based Damage Simulation

Reported here is a coupling of two NASA developed codes: CARES (Ceramics Analysis and Reliability Evaluation of Structures) with the MACGMC composite material analysis code. The resulting code is called FEAMACCARES and is constructed as an Abaqus finite element analysis UMAT (user defined material). Here we describe the FEAMACCARES code and an example problem (taken from the open literature) of a laminated CMC in off-axis loading is shown. FEAMACCARES performs stochastic-strength-based damage simulation response of a CMC under multiaxial loading using elastic stiffness reduction of the failed elements.

Reliability↗

CGH Figure Testing of Aspherical Mirrors in Cold Vacuums

An established method of room-temperature interferometric null testing of mirrors having simple shapes (e.g., flat, spherical, or spheroidal) has been augmented to enable measurement of errors in the surface figures of off-axis, non-axisymmetric, aspherical mirrors when the mirrors are located inside cryogenic vacuum chambers. The established method involves the use of a computer-generated hologram (CGH), functionally equivalent to a traditional null lens, to modify the laser beam of an imaging interferometer to obtain a reference wavefront that matches the ideal surface figure of a mirror under test. The CGH is inserted at the appropriate position and orientation in the optical path of the imaging interferometer, which, in turn, is appropriately positioned and oriented with respect to the mirror under test. Deviations of the surface figure of the mirror from the ideal surface figure manifest themselves as interference fringes. Interferograms are recorded and analyzed to deduce figure errors.

Chambers, Victor John↗

The Biomechanics of Exercise Countermeasures

The Penn State Zero-gravity Simulator (PSZS) is a device developed by the Center for Locomotion Studies (CELOS) to enable ground studies of exercise countermeasures for the bone loss that has been shown to occur during long-term exposure to zero gravity (0G). The PSZS simulates 0G exercise by providing a suspension system that holds an individual in a horizontal (supine) position above the floor in order to enable exercise on a wall-mounted treadmill. Due to this orientation, exercise performed in the PSZS is free of the force of -ravity in the direction that would normally contribute to ground reaction forces. In order for movements to be more similar to those in 0G, a constant force suspension of each segment (equal to the segment weight) is provided regardless of limb position. During the preliminary development of the PSZS, CELOS researchers also designed an optional gravity-replacement simulation feature for the PSZS. This feature was a prototype tethering system that consisted of a spring tension system to pull an exercising individual toward the treadmill. The immediate application of the tethering system was to be the provision of gravity-replacement loading so that exercise in 0G- and 1G-loading conditions could be compared, and the PSZS could then be used to evaluate exercise countermeasures for bone loss during space flight. This tethering system would also be a model for the further refinement of gravity-replacement systems provided for astronaut usage while performing prescribed exercise countermeasures for bone loss during long-term space flights.

Cavanagh, Peter R.↗