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At least 1,639 records · Page 91

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NASA NTRS2017

Design, Manufacture and Test of Cryotank Components

On the composite cryotank technology development (CCTD) project, the Boeing Company built two cryotanks as a means of advancing technology and manufacturing readiness levels (TRL and MRL) and lowering the risk of fabricating full-scale fuel containment vessels.1 CCTD focused on upper stage extended duration applications where long term storage of propellants is required. The project involved the design, analysis, fabrication, and test of manufacturing demonstration units (MDU), a 2.4 m (precursor) and a 5.5 m composite cryotank. Key design features included one-piece wall construction to minimize overall weight (eliminating the need for a bellyband joint), 3-dimensionally (3D) reinforced y-joint material to alleviate stress concentrations at the tank to skirt interface and a purge-able ﬂuted core skirt to carry high axial launch loads. The tanks were made with OoA curing pre-impregnated (prepreg) carbon/epoxy (C/E) slit-tape tow (STT) that contained thin micro-crack resistant plies in the tank wall center to impede permeation. The tanks were fabricated at Boeing's Seattle-based Advanced Development Center (ADC) using RAFP and multipiece break-down tooling. The tooling was designed and built by Janicki Industries (JI) at Sedro Woolley, Washington. Tank assemblage consisted of co-bonded dome covers, one-piece ﬂuted core skirts and mechanical fastened cover/sump. Ultrasonic inspection was performed after every cure or bond and a structural health monitoring system (SHMS) was installed to identify potential impact damage events (in-process and/or during transportation). The tanks were low temperature tested at NASA's George C. Marshall Space Flight Center (MSFC) in Huntsville, Alabama. The testing, which consisted of a sequence of ﬁll/drain pressure and thermal cycles using LH2, was successfully concluded in 2012 on the 2.4 m tank and in 2014 on the 5.5 m tank. Structural, thermal, and permeation performance data was obtained. 2 Critical design features and manufacturing advancements, which helped to validate 25% weight and 30% cost reduction projections, were matured. These advancements will help to guide future composite tank integration activities on next generation long duration aircraft and space launch vehicles. Because CCTD addressed innovative design features, heavy lift size scale-up, multipiece captured tooling, new generation automated material placement (AMP) equipment and OoA materials, this chapter should be of interest to educators, students and manufacturers of composite hardware and ﬂight vehicles.

McCarville, Douglas A.↗

NASA NTRS2019

Predictive Thermal Control (PTC) Technology to Enable Thermally Stable Telescopes: First Two Year Status

Predictive Thermal Control Technology (PTCT) development project is a multiyear effort initiated in Fiscal Year (FY) 2017, to mature the Technology Readiness Level (TRL) of critical technologies required to enable ultra-thermally-stable ultraviolet/optical/infrared (UVOIR) space telescope primary-mirror assemblies for ultra-high-contrast observations of exoplanets. Key accomplishments of 2017 to 2019 include: creating a high-fidelity STOP (Structural, Thermal, and Optical Performance) model of the AMTD-2 (Advance Mirror Technology Development) 1.5-meter Ultra-Low Expansion (ULE®) mirror (manufactured by Harris Corp) by merging 3D X-Ray computed tomography data of the ‘as-built’ mirror and coefficient of thermal expansion (CTE) data maps for each of the 18 core elements; partially validating this model by measuring the mirror’s response to bulk temperature changes and lateral thermal gradients; designed and built (with PTC partner Harris Corp) a 1.5-meter enclosure with 26 actively-control thermal zones; and defined specifications for a potential 4-meter primary mirror thermal enclosure for the Habitable Exoplanet (HabEx) Imager mission.

Astrophysics↗

NASA NTRSDate not supplied

Segmented, Pleat-Folded and Rib-Supported Thin-Shell Composite Antenna Reflector

A new architecture scalable to sizes greater than 10 m for a deployable solid surface reflector antenna is presented. The design makes use of radially and circumferentially segmented thin-shell composite gores interconnected on the back side by a series of flexible shape memory composite elements. The reflector surface stows like an umbrella by creating serpentine-shaped pleats in the thin shell while being supported by a simple-hinged metering rib structure. A parametric study assessed how design features affect the deployed stiffness of the reflector and are used to identify a test matrix for manufacturing, foldability, and shape accuracy assessments. Various manufacturing tooling designs and dedicated folding fixtures were built to increase the fidelity and confidence of the test articles produced. An overview of the development effort is provided.

Deployable antennas↗

NASA NTRSDate not supplied

Segmented, Pleat-Folded and Rib-Supported Thin-Shell Composite Antenna Reflector

Deployable antennas↗

DOE OSTI2021

Optimal Decision Making in High-Throughput Virtual Screening Pipelines

ABSTRACT Effective selection of the potential candidates that meet certain conditions in a tremendously large search space has been one of the major concerns in many real-world applications. In addition to the nearly infinitely large search space, rigorous evaluation of a sample based on the reliable experimental or computational platform is often prohibitively expensive, making the screening problem more challenging. In such a case, constructing a high-throughput screening (HTS) pipeline that pre-sifts the samples expected to be potential candidates through the efficient earlier stages, results in a significant amount of savings in resources. However, to the best of our knowledge, despite many successful applications, no one has studied optimal pipeline design or optimal pipeline operations. In this study, we propose two optimization frameworks, applying to most (if not all) screening campaigns involving experimental or/and computational evaluations, for optimally determining the screening thresholds of an HTS pipeline. We validate the proposed frameworks on both analytic and practical scenarios. In particular, we consider the optimal computational campaign for the long non-coding RNA (lncRNA) classification as a practical example. To accomplish this, we built the high-throughput virtual screening (HTVS) pipeline for classifying the lncRNA. The simulation results demonstrate that the proposed frameworks significantly reduce the effective selection cost per potential candidate and make the HTS pipelines less sensitive to their structural variations. In addition to the validation, we provide insights on constructing a better HTS pipeline based on the simulation results.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

TurboRVB is a computational package for ab initio Quantum Monte Carlo (QMC) simulations of both molecular and bulk electronic systems. The code implements two types of well established QMC algorithms: Variational Monte Carlo (VMC) and diffusion Monte Carlo in its robust and efficient lattice regularized variant. A key feature of the code is the possibility of using strongly correlated many-body wave functions (WFs), capable of describing several materials with very high accuracy, even when standard mean-field approaches [e.g., density functional theory (DFT)] fail. The electronic WF is obtained by applying a Jastrow factor, which takes into account dynamical correlations, to the most general mean-field ground state, written either as an antisymmetrized geminal power with spin-singlet pairing or as a Pfaffian, including both singlet and triplet correlations. This WF can be viewed as an efficient implementation of the so-called resonating valence bond (RVB) Ansatz, first proposed by Pauling and Anderson in quantum chemistry [L. Pauling, The Nature of the Chemical Bond (Cornell University Press, 1960)] and condensed matter physics [P.W. Anderson, Mat. Res. Bull 8, 153 (1973)], respectively. The RVB Ansatz implemented in TurboRVB has a large variational freedom, including the Jastrow correlated Slater determinant as its simplest, but nontrivial case. Moreover, it has the remarkable advantage of remaining with an affordable computational cost, proportional to the one spent for the evaluation of a single Slater determinant. Therefore, its application to large systems is computationally feasible. The WF is expanded in a localized basis set. Several basis set functions are implemented, such as Gaussian, Slater, and mixed types, with no restriction on the choice of their contraction. The code implements the adjoint algorithmic differentiation that enables a very efficient evaluation of energy derivatives, comprising the ionic forces. Thus, one can perform structural optimizations and molecular dynamics in the canonical NVT ensemble at the VMC level. For the electronic part, a full WF optimization (Jastrow and antisymmetric parts together) is made possible, thanks to state-of-the-art stochastic algorithms for energy minimization. In the optimization procedure, the first guess can be obtained at the mean-field level by a built-in DFT driver. The code was efficiently parallelized by using a hybrid MPI-OpenMP protocol, which is also an ideal environment for exploiting the computational power of modern Graphics Processing Unit accelerators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Camellia: A Rapid Development Framework for Finite Element Solvers

We report the discontinuous Petrov–Galerkin (DPG) methodology of Demkowicz and Gopalakrishnan guarantees the optimality of the finite element solution in a user-controllable energy norm, and provides several features supporting adaptive schemes. The approach provides stability automatically; there is no need for carefully derived numerical fluxes (as in DG schemes) or for mesh-dependent stabilization terms (as in stabilized methods). In this paper, we focus on features of Camellia that facilitate implementation of new DPG formulations; chief among these is a rich set of features in support of symbolic manipulation, which allow, e.g., bilinear formulations in the code to appear much as they would on paper. Many of these features are general in the sense that they can also be used in the implementation of other finite element formulations. In fact, because DPG’s requirements are essentially a superset of those of other finite element methods, Camellia provides built-in support for most common methods. We believe, however, that the combination of an essentially “hands-free” finite element methodology as found in DPG with the rapid development features of Camellia are particularly winsome, so we focus on use cases in this class. In addition to the symbolic manipulation features mentioned above, Camellia offers support for one-irregular adaptive meshes in 1D, 2D, 3D, and space-time. It provides a geometric multigrid preconditioner particularly suited for DPG problems, and supports distributed parallel execution using MPI. For its load balancing and distributed data structures, Camellia relies on packages from the Trilinos project, which simplifies interfacing with other computational science packages. Camellia also allows loading of standard mesh formats through an interface with the MOAB package. Camellia includes support for static condensation to eliminate element-interior degrees of freedom locally, usually resulting in substantial reduction of the cost of the global problem. Finally, we include a discussion of the variational formulations built into Camellia, with references to those formulations in the literature, as well as an MPI performance study.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Exploring the impact of walk–bike infrastructure, safety perception, and built-environment on active transportation mode choice: a random parameter model using New York City commuter data

Here, this study finds the effects of traffic safety, walk-bike network facilities, and land use attributes on walk and bicycle mode choice decision in the New York City for home-to-work commute. Applying the flexible econometric structure of random parameter models, we capture the heterogeneity in the decision making process and simulate scenarios considering improvement in walk-bike infrastructure such as sidewalk width and length of bike lane. Our results indicate that increasing sidewalk width, total length of bike lane, and proportion of protected bike lane will increase the likelihood of more people taking active transportation mode This suggests that the local authorities and planning agencies to invest more on building and maintaining the infrastructure for pedestrians. Furthermore, improvement in traffic safety by reducing traffic crashes involving pedestrians and bicyclists will increase the likelihood of taking active transportation modes. Our results also show positive correlation between number of non-motorized trips by the other family members and the likelihood to choose active transportation mode. The findings will help to make smart investment decisions in context of building sustainable transportation systems accounting for active transportation.

42 ENGINEERING↗

DOE OSTI2017

Classical, quantum, and thermodynamics of a lattice model exhibiting structural negative thermal expansion

We consider in detail a simple model supporting a single floppy mode that is often used to heuristically describe instances of negative thermal expansion. A key result is that the translational kinetic energy of the dilating bond network scales extensively with system size and results in dynamical properties which differ qualitatively from considerations built upon harmonic models. We develop an analogy between the dynamics of this model and a modified mechanical pendulum to elucidate the connection between the new results and the familiar harmonic limit. We then propose an appropriate Schrödinger equation for this system and study numerically the quantum mechanical solutions. Marked differences from conventional phonon dynamics and thermodynamics are seen in both classical and quantum limits, in particular a strong twofold enhancement of the (negative) coefficient of thermal expansion. We contextualize the results against real material parameters and discuss related empirical observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Location-Specific Microstructure Characterization Within AM Bench 2022 Nickel Alloy 718 3D Builds

Abstract The Additive Manufacturing Benchmark Test Series (AM Bench) is a broad effort to produce rigorous measurement datasets for validating AM computer simulations across the range of processing, structure, and properties, for many additive manufacturing (AM) build methods and material classes. Here, the microstructures of nickel alloy 718 AM Bench 2022 test artifacts produced using laser-based powder bed fusion (PBF-LB), in both as-built and fully heat-treated conditions, are examined. Cross sections are primarily characterized using large area scanning electron microscopy (SEM) electron backscatter diffraction (EBSD) and example analyses of the crystallographic textures are described. These data are part of a large set of in situ and ex situ measurements from both three-dimensional builds and laser tracks on bare plates. All the measurement data are available online with download links at www.nist.gov/ambench .

Levine, L. E. (ORCID:0000000334484229)↗

DOE OSTI2020

Additively manufactured novel Al-Cu-Sc-Zr alloy: Microstructure and mechanical properties

An in-depth understanding of microstructure and resultant properties is paramount in the design of a novel alloy system, especially for additive manufacturing (AM). The present investigation aims to characterize a prototypical AM Al alloy with great potential for structural applications. An Al-1.5Cu-0.8Sc-0.4Zr alloy designed using integrated computational material engineering was printed using the laser powder bed fusion AM process. This novel alloy shows promising combination of strength and ductility in as-built and peak-aged conditions. This improvement in the tensile properties is attributed to the presence of both coherent L1 2 Al 3 Sc/Al 3 (Sc,Zr) precipitates and Cu-rich regions. The microstructures were studied via extensive microscopy at different length scales using X-ray microscopy, scanning electron microscopy, and transmission electron microscopy. Fractography revealed that the columnar grain boundaries in as-built condition allow easy slip transfer as compared to the equiaxed grains, with the apex of the melt pool acting as the crack nucleation site. Furthermore, the peak aged condition resulted in improved strength while marginally sacrificing ductility due to precipitates decorating dislocations, grain boundaries and melt pool boundaries thus acting as obstacles to slip transfer.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Syntheses, structures and properties of two new coordination polymers based on D-camphoric acid and 2-phenyl-4,6-diamino-1,3,5-triazine

By hydrothermal method, two new coordination polymers [Co(ca)(phdat)]{sub n} (1), [Ni(ca)(phdat).0.125H{sub 2}O]{sub n} (2) (H{sub 2}ca=D-camphoric acid, phdat=2-phenyl-4,6-diamino-1,3,5-triazine) have been achieved and structurally characterized by IR, elemental analyses, X-ray single-crystal diffraction and TGA. The X-ray single-crystal diffraction reveals that compounds 1 and 2 are isostructural, both of which exhibit two-dimensional layered network built up from paddle-wheel Co{sub 2}(CO{sub 2}){sub 4}/Ni{sub 2}(CO{sub 2}){sub 4} SBUs by ca{sup 2−} ligand. In the existence of π…π stacking interactions between triazine rings and phenyl rings, the 3D networks are constructed with the hanging phdat filled between the neighboring layers. Furthermore, compounds 1–2 exhibit antiferromagnetic behavior and compound 2 displays a good activity for methanol oxidation. - Graphical abstract: Two new coordination compounds 1–2 have been synthesized and characterized by single-crystal X-ray diffractions, IR spectra, elemental analyses, thermogravimetric analyses, magnetic and electrochemical measurement. - Highlights: • This paper reports two new coordination polymers based on D-camphoric acid. • Both the compounds feather two-dimensional layered networks built up from paddle-wheel SBUs. • The magnetism and electrochemical property are investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

First demonstration of an asymmetric kinetic equilibrium for a thin current sheet

The modeling of steady state collisionless asymmetric tangential current layers is a challenging and poorly understood problem. For decades now, this difficulty has been limiting numerical models to approximate equilibria built with locally Maxwellian current layers and theoretical analyses to the very restricted Harris equilibrium. We show how the use of any distribution functions depending only on local macroscopic quantities results in a strong alteration of the current layer internal structure, which converges toward an unpredictable quasi-steady state with emission of ion scale perturbations. This transient can be explained in terms of ion kinetic and electron fluid physics. We demonstrate, for the first time, the validity of an asymmetric kinetic equilibrium model as well as its usability as an initial condition of hybrid kinetic simulations. This offers broad perspectives for the current sheet modeling, for which the early phase of instabilities can be studied within the kinetic formalism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Sequential programmable self-assembly: Role of cooperative interactions

Here, we propose a general strategy of “sequential programmable self-assembly” that enables a bottom-up design of arbitrary multi-particle architectures on nano- and microscales. We show that a naive realization of this scheme, based on the pairwise additive interactions between particles, has fundamental limitations that lead to a relatively high error rate. This can be overcome by using cooperative interparticle binding. The cooperativity is a well known feature of many biochemical processes, responsible, e.g., for signaling and regulations in living systems. Here we propose to utilize a similar strategy for high precision self-assembly, and show that DNA-mediated interactions provide a convenient platform for its implementation. In particular, we outline a specific design of a DNA-based complex which we call “DNA spider,” that acts as a smart interparticle linker and provides a built-in cooperativity of binding. We demonstrate versatility of the sequential self-assembly based on spider-functionalized particles by designing several mesostructures of increasing complexity and simulating their assembly process. This includes a number of finite and repeating structures, in particular, the so-called tetrahelix and its several derivatives. Due to its generality, this approach allows one to design and successfully self-assemble virtually any structure made of a “GEOMAG” magnetic construction toy, out of nanoparticles. According to our results, once the binding cooperativity is strong enough, the sequential self-assembly becomes essentially error-free.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2025

BOPTest As a Platform for Building Controls and Grid-Interactive Buildings Workforce Training

Building automation and controls are becoming increasingly complex with the emergence of Grid Integrated Efficient Buildings (GEBs) as well as new highly efficient sequences of operation and data-driven control schemes. However, there remains a significant gap in hands-on training opportunities for building operators and technicians to gain practical experience with advanced control systems in a low-risk environment. This paper presents BOPTEST (Building Optimization Performance Test) as a suitable platform for workforce training in building controls and GEB technologies. BOPTEST provides a suite of standardized building simulation test cases with a REST API, real-time control interfaces through BACnet, semantic models connecting users to building data, and built-in calculation of control metrics and performance indicators. The platform enables trainees to interact with virtual buildings using industry-standard protocols while learning how to implement and innovate control strategies. The training platform is designed to offer a structured and interactive learning experience for building engineers, helping them effectively develop, learn, and retain skills in fault identification, troubleshooting, and correction. The workflow is divided into three main phases: 1) Setup, 2) Exercise, and 3) Review, each comprising specific activities performed by either the instructor or the student. Initial pilot training sessions have yielded positive feedback from instructors and participants and demonstrates that BOPTEST effectively fills an industry need for a low-risk training resource via simulation of real building control systems, allowing trainees to gain practical experience before working in the field. The platform's ability to provide immediate performance feedback while maintaining familiar industry interfaces makes it particularly suitable for workforce development programs. This work provides a replicable model for leveraging building simulation in control education and training.

Paul, Lazlo↗

DOE OSTI2014

Final Report for Project DE-FC02-06ER25755 [Pmodels2]

In this report, we describe the research accomplished by the OSU team under the Pmodels2 project. The team has worked on various angles: designing high performance MPI implementations on modern networking technologies (Mellanox InfiniBand (including the new ConnectX2 architecture and Quad Data Rate), QLogic InfiniPath, the emerging 10GigE/iWARP and RDMA over Converged Enhanced Ethernet (RoCE) and Obsidian IB-WAN), studying MPI scalability issues for multi-thousand node clusters using XRC transport, scalable job start-up, dynamic process management support, efficient one-sided communication, protocol offloading and designing scalable collective communication libraries for emerging multi-core architectures. New designs conforming to the Argonne’s Nemesis interface have also been carried out. All of these above solutions have been integrated into the open-source MVAPICH/MVAPICH2 software. This software is currently being used by more than 2,100 organizations worldwide (in 71 countries). As of January ’14, more than 200,000 downloads have taken place from the OSU Web site. In addition, many InfiniBand vendors, server vendors, system integrators and Linux distributors have been incorporating MVAPICH/MVAPICH2 into their software stacks and distributing it. Several InfiniBand systems using MVAPICH/MVAPICH2 have obtained positions in the TOP500 ranking of supercomputers in the world. The latest November ’13 ranking include the following systems: 7th ranked Stampede system at TACC with 462,462 cores; 11th ranked Tsubame 2.5 system at Tokyo Institute of Technology with 74,358 cores; 16th ranked Pleiades system at NASA with 81,920 cores; Work on PGAS models has proceeded on multiple directions. The Scioto framework, which supports task-parallelism in one-sided and global-view parallel programming, has been extended to allow multi-processor tasks that are executed by processor groups. A quantum Monte Carlo application is being ported onto the extended Scioto framework. A public release of Global Trees (GT) has been made, along with the Global Chunks (GC) framework on which GT is built. The Global Chunks (GC) layer is also being used as the basis for the development of a higher level Global Graphs (GG) layer. The Global Graphs (GG) system will provide a global address space view of distributed graph data structures on distributed memory systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Database on Performance of Neutron Irradiated FeCrAl Alloys

The present report summarizes and discusses the database on radiation tolerance for Generation I, Generation II, and commercial FeCrAl alloys. This database has been built upon mechanical testing and microstructural characterization on selected alloys irradiated within the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) up to doses of 13.8 dpa at temperatures ranging from 200°C to 550°C. The structure and performance of these irradiated alloys were characterized using advanced microstructural characterization techniques and mechanical testing. The primary objective of developing this database is to enhance the rapid development of a mechanistic understanding on the radiation tolerance of FeCrAl alloys, thereby enabling informed decisions on the optimization of composition and microstructure of FeCrAl alloys for application as an accident tolerant fuel (ATF) cladding. This report is structured to provide a brief summary of critical results related to the database on radiation tolerance of FeCrAl alloys.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Frequency choice of eRHIC SRF linac

eRHIC is a FFAG lattice-based multipass ERL. The eRHIC SRF linac has been decided to change from 422 MHz 5-cell cavity to 647 MHz 5-cell cavity. There are several considerations affecting the frequency choice for a high-current multipass-ERL: the beam structure, bunch length, energy spread, beam-break-up (BBU) threshold, SRF loss considerations. Beyond the physics considerations, cost and complexity or risk is an important consideration for the frequency choice, especially when we are designing a machine to be built in a few years. Although there are some benefits of using a 422 MHz cavity for eRHIC ERL, however, there are some very critical drawbacks, including lack of facilities to fabricate a 422 MHz 5-cell cavity, very few facilities to process such a cavity and no existing facility to test the cavity anywhere. As the cavity size is big and its weight is large, it is difficult to handle it during fabrication, processing and testing, and no one has experience in this area. As the cavity size is large, the cryomodule becomes big as well. All of these considerations drive the risk of building eRHIC ERL with 422 MHz cavities to a very high level. Therefore, a decision was made to change the frequency of main linac to be 647 MHz 5-cell cavities. This note will compare these two linacs: 422MHz 5-cell cavity linac and 647Mz 5-cell cavity SRF linac, from both practical point of view and physics point of view.

43 PARTICLE ACCELERATORS↗