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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis

Here, we present the in silico design of metal-organic frameworks (MOFs) exhibiting 1-dimensional rod topologies. We then introduce an algorithm for construction of this family of MOF topologies, and illustrate its application for enumerating MOF-74-type analogs. Furthermore, we perform a broad search for new linkers that satisfy the topological requirements of MOF-74 and consider the largest database of known chemical space for organic compounds, the PubChem database. Our in silico crystal assembly, when combined with dispersion-corrected density functional theory (DFT) calculations, is demonstrated to generate a hypothetical library of open-metal site containing MOF-74 analogs in the 1-D rod topology from which we can simulate the adsorption behavior of CO 2 . We conclude that these hypothetical structures have synthesizable potential through computational identification and experimental validation of a novel MOF-74 analog, Mg 2 (olsalazine).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Design and performance of a new induction furnace for heat treatment of superconducting radiofrequency niobium cavities

Superconducting radio frequency (SRF) cavities made of high purity niobium (Nb) are the building blocks of many modern particle accelerators. The fabrication process includes several cycles of chemical and heat treatment at low ({approx}120 Degree-Sign C) and high ({approx}800 Degree-Sign C) temperatures. In this contribution, we describe the design and performance of an ultra-high-vacuum furnace which uses an induction heating system to heat treat SRF cavities. Cavities are heated by radiation from the Nb susceptor. By using an all-niobium hot zone, contamination of the Nb cavity by foreign elements during heat treatment is minimized and allows avoiding subsequent chemical etching. The furnace was operated up to 1400 Degree-Sign C with a maximum pressure of {approx}1 Multiplication-Sign 10{sup -5} Torr and the maximum achievable temperature is estimated to be higher than 2000 Degree-Sign C. Initial results on the performance of a single cell 1.5 GHz cavity made of ingot Nb heat treated at 1200 Degree-Sign C using this new induction furnace and without subsequent chemical etching showed a reduction of the RF losses by a factor of {approx}2 compared to cavities made of fine-grain Nb which underwent standard chemical and heat treatments.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

High quantum efficiency photocathode simulation for the investigation of novel structured designs

A computer model in CST Studio Suite has been developed to evaluate several novel geometrically enhanced photocathode designs. This work was aimed at identifying a structure that would increase the total electron yield by a factor of two or greater in the 1–30 keV range. The modeling software was used to simulate the electric field and generate particle tracking for several potential structures. The final photocathode structure has been tailored to meet a set of detector performance requirements, namely, a spatial resolution of <40 μm and a temporal spread of 1–10 ps. We present the details of the geometrically enhanced photocathode model and resulting static field and electron emission characteristics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Conceptual design of a divertor Thomson scattering diagnostic for NSTX-U

A conceptual design for a divertor Thomson scattering (DTS) diagnostic has been developed for the NSTX-U device to operate in parallel with the existing multipoint Thomson scattering system. Higher projected peak heat flux in NSTX-U will necessitate application of advanced magnetics geometries and divertor detachment. Interpretation and modeling of these divertor scenarios will depend heavily on local measurement of electron temperature, T{sub e}, and density, n{sub e}, which DTS provides in a passive manner. The DTS design for NSTX-U adopts major elements from the successful DIII-D DTS system including 7-channel polychromators measuring T{sub e} to 0.5 eV. If implemented on NSTX-U, the divertor TS system would provide an invaluable diagnostic for the boundary program to characterize the edge plasma.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

A survey of pulse shape options for a revised plastic ablator ignition design

Recent experimental results using the “high foot” pulse shape for inertial confinement fusion ignition experiments on the National Ignition Facility (NIF) [Moses et al., Phys. Plasmas 16, 041006 (2009)] have shown encouraging progress compared to earlier “low foot” experiments. These results strongly suggest that controlling ablation front instability growth can significantly improve implosion performance even in the presence of persistent, large, low-mode distortions. Simultaneously, hydrodynamic growth radiography experiments have confirmed that ablation front instability growth is being modeled fairly well in NIF experiments. It is timely then to combine these two results and ask how current ignition pulse shapes could be modified to improve one-dimensional implosion performance while maintaining the stability properties demonstrated with the high foot. This paper presents such a survey of pulse shapes intermediate between the low and high foot extremes in search of an intermediate foot optimum. Of the design space surveyed, it is found that a higher picket version of the low foot pulse shape shows the most promise for improved compression without loss of stability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Research Update: Towards designed functionalities in oxide-based electronic materials

One of the grand challenges facing materials-by-design approaches for complex oxide deployment in electronic devices is how to balance transformative first-principles based predictions with experimental feasibility. Here, we briefly review the functionality-driven approach (inverse design) for materials discovery, encapsulated in three modalities for materials discovery (m{sup 3}D) that integrate experimental feedback. We compare it to both traditional theoretical and high-throughput database-directed approaches aimed at advancing oxide-based materials into technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Design and installation of a ferromagnetic wall in tokamak geometry

Low-activation ferritic steels are leading material candidates for use in next-generation fusion development experiments such as a prospective component test facility and DEMO power reactor. Understanding the interaction of plasmas with a ferromagnetic wall will provide crucial physics for these facilities. In order to study ferromagnetic effects in toroidal geometry, a ferritic wall upgrade was designed and installed in the High Beta Tokamak–Extended Pulse (HBT-EP). Several material options were investigated based on conductivity, magnetic permeability, vacuum compatibility, and other criteria, and the material of choice (high-cobalt steel) is characterized. Installation was accomplished quickly, with minimal impact on existing diagnostics and overall machine performance, and initial results demonstrate the effects of the ferritic wall on plasma stability.

42 ENGINEERING↗
DOE OSTI2016

Preliminary design of a tangentially viewing imaging bolometer for NSTX-U

The infrared imaging video bolometer (IRVB) measures plasma radiated power images using a thin metal foil. Two different designs with a tangential view of NSTX-U are made assuming a 640 × 480 (1280 × 1024) pixel, 30 (105) fps, 50 (20) mK, IR camera imaging the 9 cm × 9 cm × 2 μm Pt foil. The foil is divided into 40 × 40 (64 × 64) IRVB channels. This gives a spatial resolution of 3.4 (2.2) cm on the machine mid-plane. The noise equivalent power density of the IRVB is given as 113 (46) μW/cm{sup 2} for a time resolution of 33 (20) ms. Synthetic images derived from Scrape Off Layer Plasma Simulation data using the IRVB geometry show peak signal levels ranging from ∼0.8 to ∼80 (∼0.36 to ∼26) mW/cm{sup 2}.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Design and characterization of a prototype divertor viewing infrared video bolometer for NSTX-U

The InfraRed Video Bolometer (IRVB) is a powerful tool to measure radiated power in magnetically confined plasmas due to its ability to obtain 2D images of plasma emission using a technique that is compatible with the fusion nuclear environment. A prototype IRVB has been developed and installed on NSTX-U to view the lower divertor. The IRVB is a pinhole camera which images radiation from the plasma onto a 2.5 μm thick, 9 × 7 cm{sup 2} Pt foil and monitors the resulting spatio-temporal temperature evolution using an IR camera. The power flux incident on the foil is calculated by solving the 2D+time heat diffusion equation, using the foil’s calibrated thermal properties. An optimized, high frame rate IRVB, is quantitatively compared to results from a resistive bolometer on the bench using a modulated 405 nm laser beam with variable power density and square wave modulation from 0.2 Hz to 250 Hz. The design of the NSTX-U system and benchtop characterization are presented where signal-to-noise ratios are assessed using three different IR cameras: FLIR A655sc, FLIR A6751sc, and SBF-161. The sensitivity of the IRVB equipped with the SBF-161 camera is found to be high enough to measure radiation features in the NSTX-U lower divertor as estimated using SOLPS modeling. The optimized IRVB has a frame rate up to 50 Hz, high enough to distinguish radiation during edge-localized-modes (ELMs) from that between ELMs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Design and fabrication of a window for the gas Cherenkov detector 3

The gas Cherenkov detector 3 was designed at Los Alamos National Laboratory for use in inertial confinement fusion experiments at both the Omega Laser Facility and the National Ignition Facility. This instrument uses a low-Z gamma-to-electron convertor plate and high pressure gas to convert MeV gammas into UV/visible Cherenkov photons for fast optical detection. This is a follow-on diagnostic from previous versions, with two notable differences: the pressure of the gas is four times higher, and it allows the use of fluorinated gas, requiring metal seals. These changes force significant changes in the window component, having a unique set of requirements and footprint limitations. The selected solution for this component, a sapphire window brazed into a stainless steel flange housing, is described.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

DFF Layout Variations in CMOS SOI—Analysis of Hardening by Design Options

Four D flip-flop (DFF) layouts were created from the same schematic in Sandia National Laboratories’ CMOS7 silicon-on-insulator (SOI) process. Single-event upset (SEU) modeling and testing showed an improved response with the use of shallow (not fully bottomed) N-type metal-oxide-semiconductor field-effect transistors (NMOSFETs), extending the size of the drain implant and increasing the critical charge of the transmission gates in the circuit design and layout. This research also shows the importance of correctly modeling nodal capacitance, which is a major factor determining SEU critical charge. Accurate SEU models enable the understanding of the SEU vulnerabilities and how to make the design more robust.

42 ENGINEERING↗
DOE OSTI2022

Design of a Combined Proportional Integral Derivative Controller to Regulate the Temperature Inside a High-Temperature Tubular Solar Reactor

Solar fuels are proven to be promising candidates for thermochemical energy storage. However, the transient nature of solar radiation is an obstacle to maintaining a stable operational temperature inside a solar reactor. To overcome this challenge, the temperature of a solar reactor can be regulated by controlling the incoming solar radiation or the feedstock flowrate inside the reactor. In this work, a combined proportional integral derivative (PID) controller is implemented to regulate the temperature inside a high-temperature tubular solar reactor with counter-current flowing gas/particles. The control model incorporates two control systems to regulate incoming solar radiation and gas flow simultaneously. The design of the controller is based on a reduced-order numerical model of a high-temperature tubular solar reactor that is vertically oriented with an upward gas flow and downward particle flow. The reactor receives heat circumferentially through its wall over a finite segment of its length. Formulation of the heat transfer model is presented by applying the energy balance for the reactor tube and considering heat and mass transfer inside. A set of governing differential equations are solved numerically by using the finite volume method to obtain reactor wall, particles, and gas temperatures along the reactor length with various boundary conditions. Simulation results are used to tune the PID controller parameters by utilizing the Ziegler–Nichols tuning method. Both the simulation results and the controller performance are visualized on the LABVIEW platform. The controller is challenged to track different temperature setpoints with different scenarios of transient solar radiation. Here, the performance of the PID controller was compared to experimental results obtained from an industrial PID controller embedded in a 7 kW electric furnace. Results show that the combined PID controller is successful in maintaining a stable temperature inside the reactor by regulating the incoming solar radiation and the flowrate via small steady-state error and reasonable settling time and overshoot.

14 SOLAR ENERGY↗
DOE OSTI2013

Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design

Grain boundary segregation provides a method for stabilization of nanocrystalline metals—an alloying element that will segregate to the boundaries can lower the grain boundary energy, attenuating the driving force for grain growth. The segregation strength relative to the mixing enthalpy of a binary system determines the propensity for segregation stabilization. This relationship has been codified for the design space of positive enthalpy alloys; unfortunately, quantitative values for the grain boundary segregation enthalpy exist in only very few material systems, hampering the prospect of nanocrystalline alloy design. We present a Miedema-type model for estimation of grain boundary segregation enthalpy, with which potential nanocrystalline phase-forming alloys can be rapidly screened. Calculations of the necessary enthalpies are made for ~2500 alloys and used to make predictions about nanocrystalline stability.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Preconditioner and Convergence Study for the Quantum Computer Aided Design (QCAD) Nonlinear Poisson Problem Posed on the Ottawa Flat 270 Design Geometry

A numerical study aimed to evaluate different preconditioners within the Trilinos Ifpack and ML packages for the Quantum Computer Aided Design (QCAD) non-linear Poisson problem implemented within the Albany code base and posed on the Ottawa Flat 270 design geometry is performed. This study led to some new development of Albany that allows the user to select an ML preconditioner with Zoltan repartitioning based on nodal coordinates, which is summarized. Convergence of the numerical solutions computed within the QCAD computational suite with successive mesh refinement is examined in two metrics, the mean value of the solution (an L 1 norm) and the field integral of the solution (L 2 norm).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Lattice Design and Advanced Modeling to Guide the Design of High-Performance Lightweight Structural Materials

Lightweight structural materials are required to increase the mobility of fission batteries. The materials must feature a robust combination of mechanical properties to demonstrate structural resilience. The primary objective of this project is to produce lightweight structural materials whose strength-to-weight ratios exceed those of the current widely used structural materials such as 316L stainless steels (316L SS). To achieve this, advanced modeling and simulation tools were employed to design lattice structures with different lattice parameters and different lattice types. A process was successfully developed for transforming lattice-structures models into Multiphysics Object Oriented Simulation Environment (MOOSE) inputs. Finite element modeling (FEM) was used to simulate the uniaxial tensile testing of the lattice-structured parts to investigate the stress distribution at a given displacement. The preliminary results showed that the lattice-structured sample displayed a lower Young’s modulus in comparison with the solid material and that the unit cell size of the lattice had a minimal effect. The novelty here is to apply up-front modeling to determine the best structure for the application before actually producing the sample. The approach of using modeling as a guiding tool for preliminary material design can significantly save time and cost for material development.

36 MATERIALS SCIENCE↗