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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.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Edge multi-energy soft x-ray diagnostic in Experimental Advanced Superconducting Tokamak

A multi-energy soft x-ray (ME-SXR) diagnostic has been built for electron temperature profile in the edge plasma region in Experimental Advanced Superconducting Tokamak (EAST) after two rounds of campaigns. Originally, five preamplifiers were mounted inside the EAST vacuum vessel chamber attached to five vertically stacked compact diode arrays. A custom mechanical structure was designed to protect the detectors and electronics under constraints of the tangential field of view for plasma edge and the allocation of space. In the next experiment, the mechanical structure was redesigned with a barrel structure to absolutely isolate it from the vacuum vessel. Multiple shielding structures were mounted at the pinhole head to protect the metal foils from lithium coating. The pre-amplifiers were moved to the outside of the vacuum chamber to avoid introducing interference. Twisted copper cooling tube was embedded into the back-shell near the diode to limit the temperature of the preamplifiers and diode arrays during vacuum vessel baking when the temperature reached 150 °C. Electron temperature profiles were reconstructed from ME-SXR measurements using neural networks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Unveiling Carbon Ring Structure Formation Mechanisms in Polyacrylonitrile-Derived Carbon Fibers

As the demand for electric vehicles (EVs) and autonomous vehicles (AVs) rapidly grows, lower-cost, lighter, and stronger carbon fibers (CFs) are urgently needed to respond to consumers’ call for greater EV traveling range and stronger safety structures for AVs. Converting polymeric precursors to CFs requires a complex set of thermochemical processes; a systematic understanding of each parameter in fiber conversion is still, to a large extent, lacking. Here, we demonstrate the effect of carbonization temperature on carbon ring structure formation by combining atomistic/microscale simulations and experimental validation. Experimental testing, as predicted by simulations, exhibited that the strength and ductility of PAN CFs decreased, whereas the Young’s modulus increased with increasing carbonization temperature. Our simulations unveiled that high carbonization temperature accelerated the kinetics of graphitic phase nucleation and growth, leading to the decrease in strength and ductility but increase in modulus. The methodology presented herein using combined atomistic/microscale simulations and experimental validation lays a firm foundation for further innovation in CF manufacturing and low-cost alternative precursor development.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Structure and mechanism of human DNA polymerase [eta]

The variant form of the human syndrome xeroderma pigmentosum (XPV) is caused by a deficiency in DNA polymerase {eta} (Pol{eta}), a DNA polymerase that enables replication through ultraviolet-induced pyrimidine dimers. Here we report high-resolution crystal structures of human Pol{eta} at four consecutive steps during DNA synthesis through cis-syn cyclobutane thymine dimers. Pol{eta} acts like a 'molecular splint' to stabilize damaged DNA in a normal B-form conformation. An enlarged active site accommodates the thymine dimer with excellent stereochemistry for two-metal ion catalysis. Two residues conserved among Pol{eta} orthologues form specific hydrogen bonds with the lesion and the incoming nucleotide to assist translesion synthesis. On the basis of the structures, eight Pol{eta} missense mutations causing XPV can be rationalized as undermining the molecular splint or perturbing the active-site alignment. The structures also provide an insight into the role of Pol{eta} in replicating through D loop and DNA fragile sites.

08 HYDROGEN↗
DOE OSTI2016

Coupled Calculations in Helical Steam Generator: Validation on Legacy Data

The NEAMS program aims to develop an integrated multi-physics simulation capability “pellet-to-plant” for the design and analysis of future generations of nuclear power plants. In particular, the Reactor Product Line code suite's multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. Flow-induced vibration (FIV) is widespread problem in energy systems because they rely on fluid movement for energy conversion. Vibrating structures may be damaged as fatigue or wear occurs. Given the importance of reliable components in the nuclear industry, flow-induced vibration has long been a major concern in safety and operation of nuclear reactors. In particular, nuclear fuel rods and steam generators have been known to suffer from flow-induced vibration and related failures. Advanced reactors, such as integral Pressurized Water Reactors (PWRs) considered for Small Modular Reactors (SMR), often rely on innovative component designs to meet cost and safety targets. One component that is the subject of advanced designs is the steam generator, some designs of which forego the usual shell-and-tube architecture in order to fit within the primary vessel. In addition to being more cost- and space-efficient, such steam generators need to be more reliable, since failure of the primary vessel represents a potential loss of coolant and a safety concern. A significant amount of data exists on flow-induced vibration in shell-and-tube heat exchangers, and heuristic methods are available to predict their occurrence based on a set of given assumptions. In contrast, advanced designs have far less data available. Advanced modeling and simulation based on coupled structural and fluid simulations have the potential to predict flow-induced vibration in a variety of designs, reducing the need for expensive experimental programs, especially at the design stage. Over the past five years, the Reactor Product Line has developed the integrated multi-physics code suite SHARP. The goal of developing such a tool is to perform multi-physics neutronics, thermal/fluid, and structural mechanics modeling of the components inside the full reactor core or portions of it with a user-specified fidelity. In particular SHARP contains high-fidelity single-physics codes Diablo for structural mechanics and Nek5000 for fluid mechanics calculations. Both codes are state-of-the-art, highly scalable tools that have been extensively validated. These tools form a strong basis on which to build a flow-induced vibration modeling capability. In this report we discuss one-way coupled calculations performed with Nek5000 and Diablo aimed at simulating available FIV experiments in helical steam generators in the turbulent buffeting regime. In this regime one-way coupling is judged sufficient because the pressure loads do not cause substantial displacements. It is also the most common source of vibration in helical steam generators at the low flows expected in integral PWRs. The legacy data is obtained from two datasets developed at Argonne and B&W.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1998

Stability Analysis of Plates and Shells

This special publication contains the papers presented at the special sessions honoring Dr. Manuel Stein during the 38th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference held in Kissimmee, Florida, Apdl 7-10, 1997. This volume, and the SDM special sessions, are dedicated to the memory of Dr. Manuel Stein, a major pioneer in structural mechanics, plate and shell buckling, and composite structures. Many of the papers presented are the work of Manny's colleagues and co-workers and are a result, directly or indirectly, of his influence. Dr. Stein earned his Ph.D. in Engineering Mechanics from Virginia Polytechnic Institute and State University in 1958. He worked in the Structural Mechanics Branch at the NASA Langley Research Center from 1943 until 1989. Following his retirement, Dr. Stein continued his involvement with NASA as a Distinguished Research Associate.

Knight, Norman F., Jr.↗
DOE OSTI2015

Structural and mechanical properties of thorium carbide

We have investigated the cohesive energies, equilibrium lattice constants, pressure-volume relationship, phase transition pressure and elastic constant for thorium carbide using an interionic potential theory with modified ionic charge, which includes Coulomb screening effect due to d-electrons. This compound undergoes structural phase transition from NaCl (B{sub 1}) to CsCl (B{sub 2}) structure at high pressure 40 GPa. We have also calculated bulk, Young, and shear moduli, Poisson ratio and anisotropic ratio in NaCl (B{sub 1}) structure and compared them with other experimental and theoretical results which show a good agreement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Structure and Mechanical Behavior of Elastomeric Multiblock Terpolymers Containing Glassy, Rubbery, and Semicrystalline Blocks

Multiblock copolymers containing glassy poly(cyclohexylethylene) (C), rubbery poly(ethylene-alt-propylene) (P), and semicrystalline poly(ethylene) (E) were synthesized by sequential anionic polymerization of styrene, isoprene, and butadiene followed by catalytic hydrogenation. The resulting CECPCEC (denoted XPX) and CECP (XP) multiblock copolymers each contain 50 vol % of P and equal amounts of C and E. These materials have been studied by dynamic mechanical spectroscopy (DMS), transmission electron microscopy (TEM), small- and wide-angle X-ray scattering (SAXS and WAXS), differential scanning calorimetry (DSC), and tensile deformation to characterize the morphology, phase behavior, and mechanical properties. Microphase separation in these compounds is induced by crystallization of E and/or chemical incompatibility between the three blocks, leading to a new type of morphology which contains continuous region of P and continuous region of microphase-separated X, resulting in mechanically resilient materials. High molecular weight block copolymers microphase separate with two different length scales associated with segregation between C and E and X and P. These structural features produce a nonclassical scaling relationship for the C-E domain spacing, d {approx} N{sup 0.31}, where N is the degree of polymerization of CEC portion. The role of semicrystalline E domains during uniaxial deformation has been exposed with WAXS experiments, which support a two-step mechanism involving recoverable and nonrecoverable deformation to different extents. Strain hardening is observed in double-anchored XPX, but not in single-anchored XP, at large tensile strains.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structure and mechanical properties of 3dTM ion doped RF sputtered ZnO thin films on Si (100)

Mn, Fe and Mn-Fe doped ZnO thin films were deposited on Si (100) substrates by rf- magnetron sputtering using ceramic target in pure oxygen gas environment. The X-ray diffraction shows the polycrystalline wurtzite structure films. The average grain size varies from 32-50 nm, with lower grain size for Fe doped ZnO films. The room temperature loading and unloading curve are continuous without any pop-in. The Young's modulus and hardness are in the range 156-178 GPa and 14-15.5 GPa respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Coupled Physics Environment (CouPE) library - Design, Implementation, and Release

Over several years, high fidelity, validated mono-­physics solvers with proven scalability on peta-­scale architectures have been developed independently. Based on a unified component-­based architecture, these existing codes can be coupled with a unified mesh-­data backplane and a flexible coupling-­strategy-­based driver suite to produce a viable tool for analysts. In this report, we present details on the design decisions and developments on CouPE, an acronym that stands for Coupled Physics Environment that orchestrates a coupled physics solver through the interfaces exposed by MOAB array-­based unstructured mesh, both of which are part of SIGMA (Scalable Interfaces for Geometry and Mesh-­Based Applications) toolkit. The SIGMA toolkit contains libraries that enable scalable geometry and unstructured mesh creation and handling in a memory and computationally efficient implementation. The CouPE version being prepared for a full open-­source release along with updated documentation will contain several useful examples that will enable users to start developing their applications natively using the native MOAB mesh and couple their models to existing physics applications to analyze and solve real world problems of interest. An integrated multi-­physics simulation capability for the design and analysis of current and future nuclear reactor models is also being investigated as part of the NEAMS RPL, to tightly couple neutron transport, thermal-­hydraulics and structural mechanics physics under the SHARP framework. This report summarizes the efforts that have been invested in CouPE to bring together several existing physics applications namely PROTEUS (neutron transport code), Nek5000 (computational fluid-dynamics code) and Diablo (structural mechanics code). The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The design of CouPE along with motivations that led to implementation choices are also discussed. The first release of the library will be different from the current version of the code that integrates the components in SHARP and explanation on the need for forking the source base will also be provided. Enhancements in the functionality and improved user guides will be available as part of the release. CouPE v0.1 is scheduled for an open-­source release in December 2014 along with SIGMA v1.1 components that provide support for language-agnostic mesh loading, traversal and query interfaces along with scalable solution transfer of fields between different physics codes. The coupling methodology and software interfaces of the library are presented, along with verification studies on two representative fast sodium-­cooled reactor demonstration problems to prove the usability of the CouPE library.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA

Productive transcriptional elongation of many cellular and viral mRNAs requires transcriptional factors to extract pTEFb from the 7SK snRNP by modulating the association between HEXIM and 7SK snRNA. In HIV-1, Tat binds to 7SK by displacing HEXIM. However, without the structure of the 7SK-HEXIM complex, the constraints that must be overcome for displacement remain unknown. Furthermore, while structure details of the Tat NL4-3 -7SK complex have been elucidated, it is unclear how subtypes with more HEXIM-like Tat sequences accomplish displacement. Here we report the structures of HEXIM, Tat G , and Tat Fin arginine rich motifs in complex with the apical stemloop-1 of 7SK. While most interactions between 7SK with HEXIM and Tat are similar, critical differences exist that guide function. First, the conformational plasticity of 7SK enables the formation of three different base pair configurations at a critical remodeling site, which allows for the modulation required for HEXIM binding and its subsequent displacement by Tat. Furthermore, the specific sequence variations observed in various Tat subtypes all converge on remodeling 7SK at this region. Second, we show that HEXIM primes its own displacement by causing specific local destabilization upon binding — a feature that is then exploited by Tat to bind 7SK more efficiently.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

NELL2-Robo3 complex structure reveals mechanisms of receptor activation for axon guidance

Axon pathfinding is critical for nervous system development, and it is orchestrated by molecular cues that activate receptors on the axonal growth cone. Robo family receptors bind Slit guidance cues to mediate axon repulsion. In mammals, the divergent family member Robo3 does not bind Slits, but instead signals axon repulsion from its own ligand, NELL2. Conversely, canonical Robos do not mediate NELL2 signaling. Here, we present the structures of NELL-Robo3 complexes, identifying a mode of ligand engagement for Robos that is orthogonal to Slit binding. We elucidate the structural basis for differential binding between NELL and Robo family members and show that NELL2 repulsive activity is a function of its Robo3 affinity and is enhanced by ligand trimerization. Our results reveal a mechanism of oligomerization-induced Robo activation for axon guidance and shed light on Robo family member ligand binding specificity, conformational variability, divergent modes of signaling, and evolution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Fabrication of Conductive Paths on a Fused Deposition Modeling Substrate using Inkjet Deposition

Inkjet deposition is one of the most attractive fabrication techniques for producing cost efficient and lightweight electronic devices on various substrates with low environmental impact. Fused Deposition Modeling (FDM) is one of the most used and reliable additive manufacturing processes by extrusion of wire-shaped thermoplastic materials, which provides an opportunity for embedding printed electronics into mechanical structures during the building process and enables the design of compact smart structures that can sense and adapt to their own state and the environment. This paper represents one of the first explorations of integrating inkjet deposition of silver nanoparticle inks with the FDM process for making compact electro-mechanical structures. Three challenges have been identified and investigated, including the discontinuity of the printed lines resulting from the irregular surface of the FDM substrate, the non-conductivity of the printed lines due to the particle segregation during the droplet drying process, and the slow drying process caused by the skinning effect . Two different techniques are developed in this paper to address the issue of continuity of the printed lines, including surface ironing and a novel thermal plow technique that plows a channel in the FDM substrate to seal off the pores in the substrate and contain the deposited inks. Two solutions are also found for obtaining conductivity from the continuous printed lines, including porous surface coating and using a more viscous ink with larger nanoparticle size. Then the effects of the printing and post-processing parameters on the conductivity are examined. It is found that post-processing is a dominant factor in determining the conductivity of the printed lines.

42 ENGINEERING↗
DOE OSTI2017

Fragmentation Prediction for a Brittle Ceramic: An Integrated Two-Scale Model Approach

A new implementation of a multi-scale fragmentation model is introduced that combines existing independent macro and micro-scale models into a single material model within the Library of Advanced Materials for Engineering (LAME) that can be used directly by the finite element structural mechanics code SIERRA/SM, developed at Sandia National Laboratories. The implementation not only joins existing independent fragmentation models into a single framework, but also enables further development by virtue of being integrated into SIERRA/SM. Integration with a finite element structural mechanics code for a true two-way coupling of the fragmentation models that were previously independent. Hereafter, the prior implementation will be referred to as the sequentially applied fragmentation model. In contrast, the newly developed model will be called the integrated two-scale model. The sequentially applied fragmentation model consists of two independent models applied sequentially to account for the macro-scale and microscale fragmentation. The macro-scale fragmentation behavior is calculated using an elastic gradient damage explicit material model developed to model fracture in brittle materials. The micro-scale fragmentation model is an implementation of the 1D cohesive-zone model developed by Zhou, et al. The micro-scale model is implemented by post-processing the macro-scale data that provides initial conditions for the 1D analysis. The micro-scale model is necessary to predict the resulting fragment size distribution at length scales inaccessible to the finite element based macro-scale model. The full range of fragmentation behavior is then predicted by combining the results from the two independent models. The sequentially applied fragmentation model was used to predict the fragments that result from impact loading of a brittle material, which in that case was a ceramic cylinder of commercial UO{sub 2} nuclear fuel. Understanding the fragmentation behavior of such materials is important for evaluating the risk of airborne particulate release under impact loading scenarios. This work will verify the implementation of the integrated two-scale model using the same experiment modeled by the existing sequentially applied model. The purpose of this manuscript is to introduce the new integrated two-scale fragmentation model and validate the implementation against the existing sequentially applied model for a specific case of impact loading of a brittle material. This validation case will not fully utilize the benefits of having the model integrated into the finite element code as a material model. Rather, this study will demonstrate consistency between the two fragmentation models to ensure that the success of the sequentially applied model will be duplicated by the integrated two-scale approach. Once validated, further development of the model can be made by utilizing the integration into the finite element code to create a fully two-way coupled fragmentation model that will be extended to include higher fidelity models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2011

A study on the structural and mechanical properties of nanocrystalline CuS thin films grown by chemical bath deposition technique

We report a chemical route for the deposition of nanocrystalline thin films of CuS, using aqueous solutions of Cu(CH{sub 3}COO){sub 2}, SC(NH{sub 2}){sub 2} and N(CH{sub 2}CH{sub 2}OH){sub 3} [triethanolamine, i.e. TEA] in proper concentrations and ratios. The films were structurally characterized using X-ray diffraction technique (XRD), field emission scanning electron microscopy (FESEM) and optical analysis [both photo luminescence (PL) and ultraviolet-visible (UV-vis)]. Optical studies showed a large blue shift in the band gap energy of the films due to quantum confinement effect exerted by the nanocrystals. From both XRD and FESEM analyses, formation of CuS nanocrystals with sizes within 10-15 nm was evident. A study on the mechanical properties was carried out using nanoindentation and nanoscratch techniques, which showed good mechanical stability and high adherence of the films with the bottom substrate. Such study on the mechanical properties of the CuS thin films is being reported here for the first time. Current-voltage (I-V) measurements were also carried out for the films, which showed p-type conductivity.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Innovative architectures for dense multi-microprocessor computers

The results of a Phase I Small Business Innovative Research (SBIR) project performed for the NASA Langley Computational Structural Mechanics Group are described. The project resulted in the identification of a family of chordal-ring interconnection architectures with excellent potential to serve as the basis for new multimicroprocessor (MMP) computers. The paper presents examples of how computational algorithms from structural mechanics can be efficiently implemented on the chordal-ring architecture.

Donaldson, Thomas↗
NASA NTRS2004

The Conservation of Structure and Mechanism of Catalytic Action in a Family of Thiamin Pyrophosphate (TPP)-dependent Enzymes

Thiamin pyrophosphate (TPP)-dependent enzymes are a divergent family of TPP and metal ion binding proteins that perform a wide range of functions with the common decarboxylation steps of a -(O=)C-C(OH)- fragment of alpha-ketoacids and alpha- hydroxyaldehydes. To determine how structure and catalytic action are conserved in the context of large sequence differences existing within this family of enzymes, we have carried out an analysis of TPP-dependent enzymes of known structures. The common structure of TPP-dependent enzymes is formed at the interface of four alpha/beta domains from at least two subunits, which provide for two metal and TPP-binding sites. Residues around these catalytic sites are conserved for functional purpose, while those further away from TPP are conserved for structural reasons. Together they provide a network of contacts required for flip-flop catalytic action within TPP-dependent enzymes. Thus our analysis defines a TPP-action motif that is proposed for annotating TPP-dependent enzymes for advancing functional proteomics.

Dominiak, P.↗
DOE OSTI2011

Structure and mechanical properties of Al-3Fe rapidly solidified alloy

The Al based Al-3 wt%Fe alloy was prepared by conventionally casting (ingot) and further processed the melt-spinning technique and characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) together with energy dispersive spectroscopy (EDS), differential scanning calorimetry (DSC) and the Vickers microhardness tester. The rapidly solidified (RS) binary alloys were composed of supersaturated {alpha}-Al solid solution and finely dispersed intermetallic phases. Experimental results showed that the mechanical properties of RS alloys were enhanced, which can be attributed to significant changes in the microstructure. The dependence of microhardness H{sub V} on the solidification rate (V) was analysed. These results showed that with the increasing values of V, the values of H{sub V} increased.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effects of moisture absorption on damage progression and strength of unidirectional and cross-ply fiberglass–epoxy composites

Fiber-reinforced-polymer composites (FRPs) possess superior mechanical properties and formability, making them a desirable material for construction of large optimized mechanical structures, such as aircraft, wind turbines, and marine hydrokinetic (MHK) devices. However, exposure to harsh marine environments can result in moisture absorption into the microstructure of the FRPs comprising these structures and often degrading mechanical properties. Specifically, laminate static and fatigue strengths are often significantly reduced, which must be considered in design of FRP structures in marine environments. A study of fiberglass epoxy unidirectional and cross-ply laminates was conducted to investigate hygrothermal effects on the mechanical behavior of a common material system used in wind applications. Several laminates were aged in 50 °C distilled water until maximum saturation was reached. Unconditioned control and the saturated samples were tested in quasi-static tension with the accompaniment of acoustic emission (AE) monitoring. Cross-ply laminates experienced a 54 % reduction in strength due to moisture absorption, while unidirectional laminate strengths were reduced by 40 %. Stress–strain curves and AE activity of the samples were analyzed to identify changes in damage progression due to aging.

Nunemaker, Jake D.↗