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At least 397 records · Page 22

Distinct Secondary Structures of the Leucine-Rich Repeat Proteoglycans Decorin and Biglycan: Glycosylation-Dependent Conformational Stability

Biglycan and decorin, closely related small leucine-rich repeat proteoglycans, have been overexpressed in eukaryotic cers and two major glycoforms isolated under native conditions: a proteoglycan substituted with glycosaminoglycan chains; and a core protein form secreted devoid of glycosaminoglycans. A comparative biophysical study of these glycoforms has revealed that the overall secondary structures of biglycan and decorin are different. Far-UV Circular Dichroism (CD) spectroscopy of decorin and biglycan proteoglycans indicates that, although they are predominantly Beta-sheet, biglycan has a significantly higher content of alpha-helical structure. Decorin proteoglycan and core protein are very similar, whereas the biglycan core protein exhibits closer similarity to the decorin glycoforms than to. the biglycan proteoglycan form. However, enzymatic removal of the chondroitin sulfate chains from biglycan proteoglycan does not induce a shift to the core protein structure, suggesting that the fmal form is influenced by polysaccharide addition only during biosynthesis. Fluorescence emission spectroscopy demonstrated that the single tryptophan residue, which is at a conserved position at the C-terminal domain of both biglycan and decorin, is found in similar microenvironments. This indicates that at least in this specific domain, the different glycoforms do exhibit apparent conservation of structure. Exposure of decorin and biglycan to 10 M urea resulted in an increase in fluorescent intensity, which indicates that the emission from tryptophan in the native state is quenched. Comparison of urea-induced protein unfolding curves provided further evidence that decorin and biglycan assume different structures in solution. Decorin proteoglycan and core protein unfold in a manner similar to a classic two-state model, in which there is a steep transition to an unfolded state between 1-2 M urea. The biglycan core protein also shows a similar steep transition. However, biglycan proteoglycan shows a broad unfolding transition between 1-6 M urea, probably indicating the presence of stable unfolding intermediates.

Krishnan, Priya↗

LSPRAY-II: A Lagrangian Spray Module

LSPRAY-II is a Lagrangian spray solver developed for application with parallel computing and unstructured grids. It is designed to be massively parallel and could easily be coupled with any existing gas-phase flow and/or Monte Carlo Probability Density Function (PDF) solvers. The solver accommodates the use of an unstructured mesh with mixed elements of either triangular, quadrilateral, and/or tetrahedral type for the gas flow grid representation. It is mainly designed to predict the flow, thermal and transport properties of a rapidly vaporizing spray because of its importance in aerospace application. The manual provides the user with an understanding of various models involved in the spray formulation, its code structure and solution algorithm, and various other issues related to parallelization and its coupling with other solvers. With the development of LSPRAY-II, we have advanced the state-of-the-art in spray computations in several important ways.

Raju, M. S.↗

LSPRAY-III: A Lagrangian Spray Module

LSPRAY-III is a Lagrangian spray solver developed for application with parallel computing and unstructured grids. It is designed to be massively parallel and could easily be coupled with any existing gas-phase flow and/or Monte Carlo Probability Density Function (PDF) solvers. The solver accommodates the use of an unstructured mesh with mixed elements of either triangular, quadrilateral, and/or tetrahedral type for the gas flow grid representation. It is mainly designed to predict the flow, thermal and transport properties of a rapidly vaporizing spray because of its importance in aerospace application. The manual provides the user with an understanding of various models involved in the spray formulation, its code structure and solution algorithm, and various other issues related to parallelization and its coupling with other solvers. With the development of LSPRAY-III, we have advanced the state-of-the-art in spray computations in several important ways.

Raju, M. S.↗

LSPRAY-IV: A Lagrangian Spray Module

LSPRAY-IV is a Lagrangian spray solver developed for application with parallel computing and unstructured grids. It is designed to be massively parallel and could easily be coupled with any existing gas-phase flow and/or Monte Carlo Probability Density Function (PDF) solvers. The solver accommodates the use of an unstructured mesh with mixed elements of either triangular, quadrilateral, and/or tetrahedral type for the gas flow grid representation. It is mainly designed to predict the flow, thermal and transport properties of a rapidly vaporizing spray. Some important research areas covered as a part of the code development are: (1) the extension of combined CFD/scalar-Monte- Carlo-PDF method to spray modeling, (2) the multi-component liquid spray modeling, and (3) the assessment of various atomization models used in spray calculations. The current version contains the extension to the modeling of superheated sprays. The manual provides the user with an understanding of various models involved in the spray formulation, its code structure and solution algorithm, and various other issues related to parallelization and its coupling with other solvers.

Raju, M. S.↗

LSPRAY-V: A Lagrangian Spray Module

LSPRAY-V is a Lagrangian spray solver developed for application with unstructured grids and massively parallel computers. It is mainly designed to predict the flow, thermal and transport properties of a rapidly vaporizing spray encountered over a wide range of operating conditions in modern aircraft engine development. It could easily be coupled with any existing gas-phase flow and/or Monte Carlo Probability Density Function (PDF) solvers. The manual provides the user with an understanding of various models involved in the spray formulation, its code structure and solution algorithm, and various other issues related to parallelization and its coupling with other solvers. With the development of LSPRAY-V, we have advanced the state-of-the-art in spray computations in several important ways.

CFD↗

106 Co-Signatories of the Planetary Science and Astrobiology Decadal Survey 2023-2032 White Paper

The field of exoplanetary science has emerged over the past two decades, rising up alongside traditional solar system planetary science. Both fields focus on understanding the processes which form and sculpt planets through time, yet there has been less scientific exchange between the two communities than is ideal. I will report on our white paper which explores some of the institutional and cultural barriers impeding cross-discipline collaborations. Our suggestions for fostering greater collaboration between the disciplines will be described. Some solutions require structural or policy changes within NASA itself, while others are directed towards other institutions, including academic publishers, that can also facilitate greater interdisciplinarity.

M. Marley↗

Backshell Radiation Analysis with US3D

During atmospheric entry, radiative heat flux can be a dominant heat transfer mechanism acting on the after-body of the space vehicle. Though the magnitude of radiative heat flux is small, the materials used on the back shell are designed to accommodate smaller heat loads. Therefore, an accurate estimation of radiative heat flux is required. For MSL, Brandis et al.1 performed radiation analysis on the afterbody of the vehicle. They used full angular integration to accurately calculate the radiative heat flux at multiple body points. The above analysis was performed on structured CFD solutions, and the present work applies the same type of analysis to unstructured solutions using US3D.

Raghava S C Davuluri↗

Thermoplastic Space Point Design (TSPD) Tall Tower Lunar Thermal Analysis

The Thermoplastics Development for Exploration Applications (TDEA) project seeks to advance NASA’s thermoplastic composites capabilities by developing structurally efficient joining solutions for large-scale space structures to support NASA’s future exploration missions. A key objective is to develop and understand advanced thermoplastic joining techniques relevant to space environments and applicable to unitized and/or reconfigurable composite structures. The TDEA project uses NASA Langley’s Tall Lunar Tower (TLT) concept as a target application for the design and development of in-space assembled thermoplastic composites. TLT is a 50-meter-tall tower constructed on the lunar surface near the south pole. The tower’s height at this location on the moon allows for extended durations of incident solar flux which can be used to generate power via photovoltaic arrays. The thermal environment present on lunar south pole represents a challenging environment for any space-based asset. This study provides an overview of the analysis techniques used to determine the temperature extremes, gradients, and timelines of a tall composite tower over a one-year duration at the Shackleton Connecting Ridge. The developed thermal model includes tower and lunar surface elements with anisotropic and temperature-dependent material properties and incorporates a solar vector orbit with time-varying solar flux. Study topics include: a comparison between the effects of simplified lunar surface topologies on thermal results, prediction of surface temperature values versus Lunar Reconnaissance Orbiter (LRO) flight data, and tower structural-thermal deformation.

Lunar↗

Structural design using equilibrium programming formulations

Solutions to increasingly larger structural optimization problems are desired. However, computational resources are strained to meet this need. New methods will be required to solve increasingly larger problems. The present approaches to solving large-scale problems involve approximations for the constraints of structural optimization problems and/or decomposition of the problem into multiple subproblems that can be solved in parallel. An area of game theory, equilibrium programming (also known as noncooperative game theory), can be used to unify these existing approaches from a theoretical point of view (considering the existence and optimality of solutions), and be used as a framework for the development of new methods for solving large-scale optimization problems. Equilibrium programming theory is described, and existing design techniques such as fully stressed design and constraint approximations are shown to fit within its framework. Two new structural design formulations are also derived. The first new formulation is another approximation technique which is a general updating scheme for the sensitivity derivatives of design constraints. The second new formulation uses a substructure-based decomposition of the structure for analysis and sensitivity calculations. Significant computational benefits of the new formulations compared with a conventional method are demonstrated.

Scotti, Stephen J.↗

Evaluation of solution procedures for material and/or geometrically nonlinear structural analysis by the direct stiffness method.

This paper presents an assessment of the solution procedures available for the analysis of inelastic and/or large deflection structural behavior. A literature survey is given which summarized the contribution of other researchers in the analysis of structural problems exhibiting material nonlinearities and combined geometric-material nonlinearities. Attention is focused at evaluating the available computation and solution techniques. Each of the solution techniques is developed from a common equation of equilibrium in terms of pseudo forces. The solution procedures are applied to circular plates and shells of revolution in an attempt to compare and evaluate each with respect to computational accuracy, economy, and efficiency. Based on the numerical studies, observations and comments are made with regard to the accuracy and economy of each solution technique.

Stricklin, J. A.↗

On the Lagrangian description of unsteady boundary layer separation. Part 2: The spinning sphere

A theory to explain the initial stages of unsteady separation was proposed by Van Dommelen and Cowley (1989). This theory is verified for the separation process that occurs at the equatorial plane of a sphere or a spheroid which is impulsively spun around an axis of symmetry. A Lagrangian numerical scheme is developed which gives results in good agreement with Eulerian computations, but which is significantly more accurate. This increased accuracy, and a simpler structure to the solution, also allows verification of the Eulerian structure, including the presence of logarithmic terms. Further, while the Eulerian computations broke down at the first occurrence of separation, it is found that the Lagrangian computation can be continued. It is argued that this separated solution does provide useful insight into the further evolution of the separated flow. A remarkable conclusion is that an unseparated vorticity layer at the wall, a familiar feature in unsteady separation processes, disappears in finite time.

Vandommelen, Leon L.↗

On the Lagrangian description of unsteady boundary-layer separation. II - The spinning sphere

A theory to explain the initial stages of unsteady separation was proposed by Van Dommelen and Cowley (1989). This theory is verified for the separation process that occurs at the equatorial plane of a sphere or a spheroid which is impulsively spun around an axis of symmetry. A Lagrangian numerical scheme is developed which gives results in good agreement with Eulerian computations, but which is significantly more accurate. This increased accuracy, and a simpler structure to the solution, also allows verification of the Eulerian structure, including the presence of logarithmic terms. Further, while the Eulerian computations broke down at the first occurrence of separation, it is found that the Lagrangian computation can be continued. It is argued that this separated solution does provide useful insight into the further evolution of the separated flow. A remarkable conclusion is that an unseparated vorticity layer at the wall, a familiar feature in unsteady separation processes, disappears in finite time.

Van Dommelen, Leon L.↗

Interplay of Crystal Structure and Magnetic Properties of the Eu 5.08-x Sr x Al 3 Sb 6 Solid Solution

Zintl phases containing rare-earth metals have gained attention due to their magnetic, electronic, and thermoelectric properties. Eu 5.08 Al 3 Sb 6 is a new structure type (monoclinic space group C2/m) that can be described as a pseudorock-salt EuSb motif with the Eu-centered Sb octahedra at the origin of the unit cell, and on the C-face center, containing either Eu (8%) or an Al 4 tetrahedron modeled as a dual tetrahedron (37.5%). The complete solid solution of Eu 5.08–x Sr x Al 3 Sb 6 can be prepared; however, the cation totals vacillate from 5 to 5.24 depending on the Al content. Al K-edge XANES shows a shift to higher energy relative to the Al metal but at slightly lower energy relative to AlSb, indicating an intermediate oxidation state closer to +3 than 0. The lack of an Al K-edge shift with the incorporation of Sr suggests that changes in Sr content do not have a meaningful impact on the electronics of the Al tetrahedra. Investigation of the solid solution structures provides evidence for classifying this structure type as a polar intermetallic phase with variable composition. Magnetization measurements were collected for the solid solution and show complex magnetic ordering with competing ferromagnetic and antiferromagnetic interactions as the Sr content increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Entropy-Driven Structural Evolution in Ceramic Oxides

High-entropy ceramics, with five or more elements randomly occupying the same cation crystallographic sites, offer vast compositional diversity and unique properties for material design and applications. However, for many dissimilar elements, entropic stabilization cannot overcome the enthalpic barrier to cation substitution. As a result, most high-entropy ceramics incorporate only a few similar elements, limiting the in-depth exploration of the effect of entropy on ceramic properties. Here, we first use density functional theory to model fluorite crystal structures composed of 1-10 elements and then experimentally present practical fluorite oxide nanostructures containing 1, 3, 8, and 15 metals, as well as a record-breaking 25-element high-entropy ceramic incorporating a diverse palette of rare-earth, transition, alkaline, p-block, and noble metals. As entropy increases, structural and configurational disorder in the solid solution rises, altering structural features such as lattice distortion, crystallinity, homogeneity, defect density, and thermal stability. This research provides new insights and understanding of the role of entropy in stabilizing compositionally complex ceramics.

Liu, Shuo↗

Energy minimization versus pseudo force technique for nonlinear structural analysis

The effectiveness of using minimization techniques for the solution of nonlinear structural analysis problems is discussed and demonstrated by comparison with the conventional pseudo force technique. The comparison involves nonlinear problems with a relatively few degrees of freedom. A survey of the state-of-the-art of algorithms for unconstrained minimization reveals that extension of the technique to large scale nonlinear systems is possible.

Kamat, M. P.↗

Improving Search Properties in Genetic Programming

With the advancing computer processing capabilities, practical computer applications are mostly limited by the amount of human programming required to accomplish a specific task. This necessary human participation creates many problems, such as dramatically increased cost. To alleviate the problem, computers must become more autonomous. In other words, computers must be capable to program/reprogram themselves to adapt to changing environments/tasks/demands/domains. Evolutionary computation offers potential means, but it must be advanced beyond its current practical limitations. Evolutionary algorithms model nature. They maintain a population of structures representing potential solutions to the problem at hand. These structures undergo a simulated evolution by means of mutation, crossover, and a Darwinian selective pressure. Genetic programming (GP) is the most promising example of an evolutionary algorithm. In GP, the structures that evolve are trees, which is a dramatic departure from previously used representations such as strings in genetic algorithms. The space of potential trees is defined by means of their elements: functions, which label internal nodes, and terminals, which label leaves. By attaching semantic interpretation to those elements, trees can be interpreted as computer programs (given an interpreter), evolved architectures, etc. JSC has begun exploring GP as a potential tool for its long-term project on evolving dextrous robotic capabilities. Last year we identified representation redundancies as the primary source of inefficiency in GP. Subsequently, we proposed a method to use problem constraints to reduce those redundancies, effectively reducing GP complexity. This method was implemented afterwards at the University of Missouri. This summer, we have evaluated the payoff from using problem constraints to reduce search complexity on two classes of problems: learning boolean functions and solving the forward kinematics problem. We have also developed and implemented methods to use additional problem heuristics to fine-tune the searchable space, and to use typing information to further reduce the search space. Additional improvements have been proposed, but they are yet to be explored and implemented.

Janikow, Cezary Z.↗

Experiences in using modal synthesis within project requirements

Modal synthesis methods were developed for use by engineers for cost-effective solutions of large structural dynamics problems. Different methods were proposed by various investigators based upon comparative solutions of relatively simple structures using different forms of displacement functions. The application of modal synthesis methods to a large complex structure in a project environment is described. The considerations include analysis, hardware interfaces, schedules, tests, resources, and other project requirements. Good technical results were obtained through the use of an integrated analysis/test modal synthesis on both substructures and systems.

Garba, J. A.↗

Numerical analysis of discrete fractional integrodifferential structural dampers

This paper develops solution algorithms enabling the handling of the dynamic response of nonlinear structures contained discretely attached dampers modeled by fractional integrodifferential operators of the Grunwald-Liouville-Riemann type. The development consists of two levels of formulation, namely: (1) numerical approximations of fractional operators and, (2) the establishment of global level implicit schemes enabling the solution to nonlinear structural formulations. To generalize the overall results, error estimates are derived for the fractional operator approximation algorithm. These enable an ongoing optimization of solution efficiency for a given error tolerance. To benchmark the scheme, the results of several numerical experiments are presented. These illustrate the numerical characteristics of the overall formulation.

Padovan, Joseph↗