Search NASA⌕ Search

SEARCH · Search NASA

Results for “Structural Design”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Fast Detection of Material Deformation through Structural Dissimilarity

Designing materials that are resistant to extreme temperatures and brittleness relies on assessing structural dynamics of samples. Algorithms are critically important to characterize material deformation under stress conditions. Here, we report on our design of coarse-grain parallel algorithms for image quality assessment based on structural information and on crack detection of gigabyte-scale experimental datasets. We show how key steps can be decomposed into distinct processing flows, one based on structural similarity (SSIM) quality measure, and another on spectral content. These algorithms act upon image blocks that fit into memory, and can execute independently. We discuss the scientific relevance of the problem, key developments, and decomposition of complementary tasks into separate executions. We show how to apply SSIM to detect material degradation, and illustrate how this metric can be allied to spectral analysis for structure probing, while using tiled multi-resolution pyramids stored in HDF5 chunked multi-dimensional arrays. Results show that the proposed experimental data representation supports an average compression rate of 10X, and data compression scales linearly with the data size. We also illustrate how to correlate SSIM to crack formation, and how to use our numerical schemes to enable fast detection of deformation from 3D datasets evolving in time.

Ushizima, Daniela↗
DOE OSTI2017

Data Sciences Summer Institute Topology Optimization

DSSI_TOPOPT is a 2D topology optimization code that designs stiff structures made of a single linear elastic material and void space. The code generates a finite element mesh of a rectangular design domain on which the user specifies displacement and load boundary conditions. The code iteratively designs a structure that minimizes the compliance (maximizes the stiffness) of the structure under the given loading, subject to an upper bound on the amount of material used. Depending on user options, the code can evaluate the performance of a user-designed structure, or create a design from scratch. Output includes the finite element mesh, design, and visualizations of the design.

Watts, Seth↗
DOE OSTI2012

AHTR Mechanical, Structural, and Neutronic Preconceptual Design

This report provides an overview of the mechanical, structural, and neutronic aspects of the Advanced High Temperature Reactor (AHTR) design concept. The AHTR is a design concept for a large output Fluoride salt cooled High-temperature Reactor (FHR) that is being developed to enable evaluation of the technology hurdles remaining to be overcome prior to FHRs becoming an option for commercial reactor deployment. This report documents the incremental AHTR design maturation performed over the past year and is focused on advancing the design concept to a level of a functional, self-consistent system. The reactor concept development remains at a preconceptual level of maturity. While the overall appearance of an AHTR design is anticipated to be similar to the current concept, optimized dimensions will differ from those presented here. The AHTR employs plate type coated particle fuel assemblies with rapid, off-line refueling. Neutronic analysis of the core has confirmed the viability of a 6-month two-batch cycle with 9 wt. % enriched uranium fuel. Refueling is intended to be performed automatically under visual guidance using dedicated robotic manipulators. The report includes a preconceptual design of the manipulators, the fuel transfer system, and the used fuel storage system. The present design intent is for used fuel to be stored inside of containment for at least six months and then transferred to local dry wells for intermediate term, on-site storage. The mechanical and structural concept development effort has included an emphasis on transportation and constructability to minimize construction costs and schedule. The design intent is that all components be factory fabricated into rail transportable modules that are assembled into subsystems at an on-site workshop prior to being lifted into position using a heavy-lift crane in an open-top style construction. While detailed accident identification and response sequence analysis has yet to be performed, the design concept incorporates fully passive responses to all identified design basis or non-very-low frequency beyond design basis accidents as well as multiple levels of radioactive material containment. Key building design elements include (1) below grade siting to minimize vulnerability to aircraft impact, (2) multiple natural circulation decay heat rejection chimneys, (3) seismic base isolation, and (4) decay heat powered back-up electricity generation.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2012

AHTR Mechanical, Structural, And Neutronic Preconceptual Design

This report provides an overview of the mechanical, structural, and neutronic aspects of the Advanced High Temperature Reactor (AHTR) design concept. The AHTR is a design concept for a large output Fluoride salt cooled High-temperature Reactor (FHR) that is being developed to enable evaluation of the technology hurdles remaining to be overcome prior to FHRs becoming a commercial reactor class. This report documents the incremental AHTR design maturation performed over the past year and is focused on advancing the design concept to a level of a functional, self-consistent system. The AHTR employs plate type coated particle fuel assemblies with rapid, off-line refueling. Neutronic analysis of the core has confirmed the viability of a 6-month 2-batch cycle with 9 weight-percent enriched uranium fuel. Refueling is intended to be performed automatically under visual guidance using dedicated robotic manipulators. The present design intent is for used fuel to be stored inside of containment for at least 6 months and then transferred to local dry wells for intermediate term, on-site storage. The mechanical and structural concept development effort has included an emphasis on transportation and constructability to minimize construction costs and schedule. The design intent is that all components be factory fabricated into rail transportable modules that are assembled into subsystems at an on-site workshop prior to being lifted into position using a heavy-lift crane in an open-top style construction. While detailed accident identification and response sequence analysis has yet to be performed, the design concept incorporates multiple levels of radioactive material containment including fully passive responses to all identified design basis or non-very-low frequency beyond design basis accidents. Key building design elements include: 1) below grade siting to minimize vulnerability to aircraft impact, 2) multiple natural circulation decay heat rejection chimneys, 3) seismic base isolation, and 4) decay heat powered back-up electricity generation. The report provides a preconceptual design of the manipulators, the fuel transfer system, and the salt transfer loops. The mechanical handling of the fuel and how it is accomplished without instrumentation inside the salt is described within the report. All drives for the manipulators reside outside the reactor top flange. The design has also taken into account the transportability of major components and how they will be assembled on site

Varma, Venugopal Koikal↗
DOE OSTI2023

Machine learning unifies flexibility and efficiency of spinodal structure generation for stochastic biomaterial design

Abstract Porous biomaterials design for bone repair is still largely limited to regular structures (e.g. rod-based lattices), due to their easy parameterization and high controllability. The capability of designing stochastic structure can redefine the boundary of our explorable structure–property space for synthesizing next-generation biomaterials. We hereby propose a convolutional neural network (CNN) approach for efficient generation and design of spinodal structure—an intriguing structure with stochastic yet interconnected, smooth, and constant pore channel conducive to bio-transport. Our CNN-based approach simultaneously possesses the tremendous flexibility of physics-based model in generating various spinodal structures (e.g. periodic, anisotropic, gradient, and arbitrarily large ones) and comparable computational efficiency to mathematical approximation model. We thus successfully design spinodal bone structures with target anisotropic elasticity via high-throughput screening, and directly generate large spinodal orthopedic implants with desired gradient porosity. This work significantly advances stochastic biomaterials development by offering an optimal solution to spinodal structure generation and design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Design of Highly Potent, Dual-Acting and Central-Nervous-System-Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants

Herein we report the design, synthesis, X–ray structural, and biological studies of an exceptionally potent HIV–1 protease inhibitor, compound 5 ((3S,7aS,8S)–hexahydro–4H–3,5–methanofuro[2,3–b]pyran–8–yl ((2S,3R)–4–((2–(cyclopropylamino)–N–isobutylbenzo[d]thiazole)–6–sulfonamido)–1–(3,5–difluorophenyl)–3–hydroxybutan–2–yl)carbamate). Using structure–based design, we incorporated an unprecedented 6–5–5–ring–fused crown–like tetrahydropyranofuran as the P2–ligand, a cyclopropylaminobenzothiazole as the P2'–igand, and a 3,5–difluorophenylmethyl group as the P1–ligand. The resulting inhibitor 5 exhibited exceptional HIV–1 protease inhibitory and antiviral potency at the picomolar level. Furthermore, it displayed antiviral IC50 values in the picomolar range against a wide panel of highly multidrug–resistant HIV–1 variants. The inhibitor shows an extremely high genetic barrier against the emergence of drug…resistant variants. It also showed extremely potent inhibitory activity toward dimerization as well as favorable central nervous system penetration. Here, we determined a high–resolution X–ray crystal structure of the complex between inhibitor 5 and HIV–1 protease, which provides molecular insight into the unprecedented activity profiles observed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2010

Trp[superscript 2313]-His[superscript 2315] of Factor VIII C2 Domain Is Involved in Membrane Binding Structure of a Complex Between the C[subscript 2] Domain and an Inhibitor of Membrane Binding

Factor VIII (FVIII) plays a critical role in blood coagulation by forming the tenase complex with factor IXa and calcium ions on a membrane surface containing negatively charged phospholipids. The tenase complex activates factor X during blood coagulation. The carboxyl-terminal C2 domain of FVIII is the main membrane-binding and von Willebrand factor-binding region of the protein. Mutations of FVIII cause hemophilia A, whereas elevation of FVIII activity is a risk factor for thromboembolic diseases. The C2 domain-membrane interaction has been proposed as a target of intervention for regulation of blood coagulation. A number of molecules that interrupt FVIII or factor V (FV) binding to cell membranes have been identified through high throughput screening or structure-based design. We report crystal structures of the FVIII C2 domain under three new crystallization conditions, and a high resolution (1.15 {angstrom}) crystal structure of the FVIII C2 domain bound to a small molecular inhibitor. The latter structure shows that the inhibitor binds to the surface of an exposed {beta}-strand of the C2 domain, Trp{sup 2313}-His{sup 2315}. This result indicates that the Trp{sup 2313}-His{sup 2315} segment is an important constituent of the membrane-binding motif and provides a model to understand the molecular mechanism of the C2 domain membrane interaction.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Social life cycle assessment of concrete bridge decks exposed to aggressive environments

Highlights: • Social Life Cycle Assessment of different design strategies for bridge decks in marine environments. • 15 design alternatives were studied and compared according to the Guidelines methodology. • Less maintenance results in better social performance. • Impacts during maintenance phase are main contributors to social performance. • Stainless steel and the addition of silica fume are socially preferable to conventional designs. - Abstract: Sustainable design of structures includes environmental and economic aspects; social aspects throughout the life cycle of the structure, however, are not always adequately assessed. This study evaluates the social contribution of a concrete bridge deck. The social performance of the different design alternatives is estimated taking into account the impacts derived from both the construction and the maintenance phases of the infrastructure under conditions of uncertainty. Uncertain inputs related to social context are treated through Beta-PERT distributions. Maintenance needs for the different materials are estimated by means of a reliability based durability evaluation. Results show that social impacts resulting from the service life of bridges are not to be neglected in sustainability assessments of such structures. Designs that minimize maintenance operations throughout the service life, such as using stainless steel rebars or silica fume containing concretes, are socially preferable to conventional designs. The results can complement economic and environmental sustainability assessments of bridge structures.

42 ENGINEERING↗
DOE OSTI2018

Temperature-Sensitive Structure Evolution of Lithium–Manganese-Rich Layered Oxides for Lithium-Ion Batteries

Cathodes of lithium-rich layered oxides for high-energy Li-ion batteries in electrically powered vehicles are attracting considerable attention by the research community. Furthermore, current research is insufficient to account for their complex reaction mechanism and application. Thus, the structural evolution of lithium-manganese-rich layered oxides at different temperatures during electrochemical cycling has been investigated thoroughly, and their structural stability has been designed. The results indicated structure conversion from the two structures into a core-shell structure with a single distorted-monoclinic LiTMO 2 structure core and disordered-spinel/rock salt structure shell, along with lattice oxygen extraction and lattice densification, transition- metal migration, and aggregation on the crystal surface. Here, the structural conversion behavior was found to be seriously temperature sensitive, accelerated with higher temperature, and can be effectively adjusted by structural design. This study clarifies the structural evolution mechanism of these lithium-rich layered oxides and opens the door to the design of similar high-energy materials with better cycle stability.

25 ENERGY STORAGE↗
DOE OSTI2013

Definition of a 5MW/61.5m wind turbine blade reference model.

A basic structural concept of the blade design that is associated with the frequently utilized %E2%80%9CNREL offshore 5-MW baseline wind turbine%E2%80%9D is needed for studies involving blade structural design and blade structural design tools. The blade structural design documented in this report represents a concept that meets basic design criteria set forth by IEC standards for the onshore turbine. The design documented in this report is not a fully vetted blade design which is ready for manufacture. The intent of the structural concept described by this report is to provide a good starting point for more detailed and targeted investigations such as blade design optimization, blade design tool verification, blade materials and structures investigations, and blade design standards evaluation. This report documents the information used to create the current model as well as the analyses used to verify that the blade structural performance meets reasonable blade design criteria.

Resor, Brian Ray↗
DOE OSTI2020

Reactor for hydrothermal growth of structured materials

Design, fabrication, and usage of a reactor are presented for synthesis of structured materials from a liquid-phase precursor by heating. The structured materials are particles, membranes or films of micro-porous molecular sieve crystals such as zeolite and meso-porous materials. The precursor solution and structured materials in the reactor are uniformly heated by a planar heater with characteristic heat transfer dimension in the range of 3 mm to 10 cm. A planar heater having width and length at least three times of the characteristic heat transfer dimension provides at least one surface of uniform temperature distribution for heating purposes. Heating is conducted over a temperature range of 20 to 300° C. The planar heater can be heated by electrical power of by thermal fluid.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A Pareto Algorithm for Efficient De Novo Design of Multi-functional Molecules

Here, we have introduced a Pareto sorting algorithm into Synopsis, a de novo design program that generates synthesizable molecules with desirable properties. We give a detailed description of the algorithm and illustrate its working in 2 different de novo design settings: the design of putative dual and selective FGFR and VEGFR inhibitors, and the successful design of organic structure determining agents (OSDAs) for the synthesis of zeolites. We show that the introduction of Pareto sorting not only enables the simultaneous optimization of multiple properties but also greatly improves the performance of the algorithm to generate molecules with hard-to-meet constraints. This in turn allows us to suggest approaches to address the problem of false positive hits in de novo structure based drug design by introducing structural and physicochemical constraints in the designed molecules, and by forcing essential interactions between these molecules and their target receptor.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Self-assembly of multi-stranded RNA motifs into lattices and tubular structures

Rational design of nucleic acidmolecules yields selfassembling scaffolds with increasing complexity, size and functionality. It is an open question whether design methods tailored to build DNA nanostructures can be adapted to build RNA nanostructures with comparable features. We demonstrate the formation of RNA lattices and tubular assemblies from double crossover (DX) tiles, a canonical motif in DNA nanotechnology. Tubular structures can exceed 1 m in length, suggesting that this DX motif can produce very robust lattices. Some of these tubes spontaneously form with left-handed chirality. We obtain assemblies by using two methods: a protocol where gel-extracted RNA strands are slowly annealed, and a one-pot transcription and anneal procedure. We then identify the tile nick position as a structural requirement for lattice formation. These results demonstrate that stable RNA structures can be obtained with design tools imported from DNA nanotechnology. These large assemblies could be potentially integrated with a variety of functional RNA motifs for drug or nanoparticle delivery, or for colocalization of cellular components.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Right-Handed Helical Foldamers Consisting of De Novo d -AApeptides

New types of foldamer scaffolds are formidably challenging to design and synthesize, yet highly desirable as structural mimics of peptides/proteins with a wide repertoire of functions. In particular, the development of peptidomimetic helical foldamers holds promise for new biomaterials, catalysts, and drug molecules. Unnatural l-sulfono-γ-AApeptides were recently developed and shown to have potential applications in both biomedical and material sciences. However, d-sulfono-γ-AApeptides, the enantiomers of l-sulfono-γ-AApeptides, have never been studied due to the lack of high-resolution three-dimensional structures to guide structure-based design. Herein, we report the first synthesis and X-ray crystal structures of a series of 2:1 l-amino acid/d-sulfono-γ-AApeptide hybrid foldamers, and elucidate their folded conformation at the atomic level. Single-crystal X-ray crystallography indicates that this class of oligomers folds into well-defined right-handed helices with unique helical parameters. The helical structures were consistent with data obtained from solution 2D NMR, CD studies, and molecular dynamics simulations. Our findings are expected to inspire the structure-based design of this type of unique folding biopolymers for biomaterials and biomedical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Distant Observer™ [SWR-12-09]

Distant Observer™ (DO) is an optical measurement tool, designed for parabolic trough solar collectors, that determines reflector slope error, absorber position error, and the combined errors based on images of the receiver-tube reflection taken from different angles. We have demonstrated that DO can provide a measurement accuracy of 0.25 mrad for the slope and receiver position errors. DO has two implementation versions: ground-based and drone-driven. As we pursue efforts to lower the capital and installation costs of parabolic trough solar collectors, it is essential to maintain high optical performance. The Distant Observer™ (DO) tool, developed by engineers at NREL, is a fast and highly accurate tool that provides complete characterization of the performance of the optical components which include the mirror panels and thermal receiver. This tool is very useful for testing both prototype and operational modules. The Distant Observer™ is an optical measurement tool for parabolic solar collectors that measures reflector slope error, absorber position error and the combined errors. Reflector slope errors occur for many reasons including imperfection in structural frame design, manufacturing and assembly. Absorber position error can be caused by poor structural design, poor installation, sag from the absorber weight, or change in the structure over time.

Ihas, Benjamin↗
DOE OSTI2023

Hallucination of closed repeat proteins containing central pockets

In pseudocyclic proteins, such as TIM barrels, β barrels, and some helical transmembrane channels, a single subunit is repeated in a cyclic pattern, giving rise to a central cavity that can serve as a pocket for ligand binding or enzymatic activity. Inspired by these proteins, we devised a deep-learning-based approach to broadly exploring the space of closed repeat proteins starting from only a specification of the repeat number and length. Biophysical data for 38 structurally diverse pseudocyclic designs produced in Escherichia coli are consistent with the design models, and the three crystal structures we were able to obtain are very close to the designed structures. Docking studies suggest the diversity of folds and central pockets provide effective starting points for designing small-molecule binders and enzymes.

59 BASIC BIOLOGICAL SCIENCES↗