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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Ethanol-fueled metal supported solid oxide fuel cells with a high entropy alloy internal reforming catalyst

High-performance metal supported solid oxide fuel cells (MS-SOFC) with an integrated high entropy alloy (HEA) internal reforming catalyst (IRC) are demonstrated for transportation applications using ethanol and methanol as fuels. Addition of the HEA IRC dramatically improves cell performance and stability when using ethanol/water blend fuel. Absence of carbon deposition predicted by thermodynamic calculations is confirmed by Raman spectroscopy analysis of posttest anodes. Optimal catalyst processing (deposition technique, loading, firing temperature) and cell operation conditions (flow rates, temperature, fuel compositions) are explored. Infiltrated HEA reforming catalyst provides a highly porous structure and low catalyst loading (6 mg cm –2 ). The designed structure and catalysts achieve small mass transport resistances in the fuel electrode (26.2 s m –1 ) and oxygen electrode (41.6 s m –1 ). The best ethanol concentration (60:40 v% ethanol: water) provides 0.83 W cm –1 at 700 °C, without carbon deposition. The ethanol-fueled MS-SOFC is operated for 500 h, including five thermal cycles. As a result, cell evolution is similar to that reported previously for hydrogen fuel; nickel aggregation and chromia deposition were the major observed changes, and carbon formation can be avoided even after long-term operation.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2011

Rational Mutagenesis to Support Structure-based Drug Design: MAPKAP Kinase 2 as a Case Study

Structure-based drug design (SBDD) can provide valuable guidance to drug discovery programs. Robust construct design and expression, protein purification and characterization, protein crystallization, and high-resolution diffraction are all needed for rapid, iterative inhibitor design. We describe here robust methods to support SBDD on an oral anti-cytokine drug target, human MAPKAP kinase 2 (MK2). Our goal was to obtain useful diffraction data with a large number of chemically diverse lead compounds. Although MK2 structures and structural methods have been reported previously, reproducibility was low and improved methods were needed. Our construct design strategy had four tactics: N- and C-terminal variations; entropy-reducing surface mutations; activation loop deletions; and pseudoactivation mutations. Generic, high-throughput methods for cloning and expression were coupled with automated liquid dispensing for the rapid testing of crystallization conditions with minimal sample requirements. Initial results led to development of a novel, customized robotic crystallization screen that yielded MK2/inhibitor complex crystals under many conditions in seven crystal forms. In all, 44 MK2 constructs were generated, {approx}500 crystals were tested for diffraction, and {approx}30 structures were determined, delivering high-impact structural data to support our MK2 drug design effort. Key lessons included setting reasonable criteria for construct performance and prioritization, a willingness to design and use customized crystallization screens, and, crucially, initiation of high-throughput construct exploration very early in the drug discovery process.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Residual Stress Distribution in a Hydroformed Advanced High Strength Steel Component: Neutron Diffraction Measurements and Finite Element Simulations

Today’s automotive industry is witnessing increasing applications of advanced high strength steels (AHSS) combined with innovative manufacturing techniques to satisfy fuel economy requirements of stringent environmental regulations. The integration of AHSS in novel automotive structure design has introduced huge advantages in mass reduction while maintaining their structural performances, yet several concerns have been raised for this relatively new family of steels. One of those concerns is their potentially high springback after forming, which can lead to geometrical deviation of the final product from its designed geometry and cause difficulties during assembly. From the perspective of accurate prediction, control and compensation of springback, further understanding on the effect of residual stress in AHSS parts is urged. In this work, the residual stress distribution in a 980GEN3 steel part after hydroforming is investigated via experimental and numerical approaches. A non-destructive neutron diffraction technique is adopted to reveal the residual stress profiles across a 94-degree tube bending radius section of the hydroformed part. The finite element analysis (FEA) is also conducted to simulate the hydroforming and the subsequent unloading processes to predict the residual stress distribution within the same region. The correlation between experimental and simulation results is presented and the effectiveness of the FEA model for residual stress prediction is discussed. Findings in this study set the basis for springback analysis with improved accuracy and reliability.

Huang, Lu↗
DOE OSTI2025

Data Structure Alchemy

In an increasingly more data-driven world, the project set out to uncover the first principles of data-structure design, chart the immense design space they form, and build automation that can synthesize an optimal structure, or even a whole storage engine, for any given workload, hardware platform, and cost target. Data structures are at the center of every computational system and are directly responsible for its performance. Two core technical thrusts were defined: 1) Mapping design spaces for key data-centric abstractions (filters, hash functions, storage-engine layouts, neural-network topologies, blockchain protocols, image layouts, etc.). 2) Developing search & synthesis algorithms, initially analytical cost models, later neural-guided bi-level optimisers that navigate sextillions of candidate designs in seconds and materialise the best one as ready‐to-run code. This report distills the key insights, accomplishments, and impact.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

LBNF 1.2 MW TARGET: CONCEPTUAL DESIGN & FABRICATION

Fermilab’s Long-Baseline Neutrino Facility (LBNF) will utilize a modified design based on the NuMI low energy target that is reconfigured to accommodate beam operation at 1.2 MW. Achieving this power with a graphite target material and ancillary systems originally rated for 400 kW requires several design changes and R&D efforts related to material bonding and electrical isolation. Target cooling, structural design, and fabrication techniques must address higher stresses and heat loads that will be present during 1.2 MW operation, as the assembly will be subject to cyclic loads and thermal expansion. Mitigations must be balanced against compromises in neutrino yield. Beam monitoring and subsystem instrumentation will be updated and added to ensure confidence in target positioning and monitoring. Remote connection to the target hall support structure must provide for the eventual upgrade to a 2.4 MW target design, without producing excessive radioactive waste or unreasonable exposure to technicians during reconfiguration. Current designs and assembly layouts will be presented, in addition to current findings on processes and possibilities for prototype and final assembly fabrication.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

LBNF 1.2 MW Target: Conceptual Design & Fabrication

Fermilab’s Long-Baseline Neutrino Facility (LBNF) will utilize a modified design based on the NuMI low energy target that is reconfigured to accommodate beam operation at 1.2 MW. Achieving this power with a graphite target material and ancillary systems originally rated for 400 kW requires several design changes and R&D efforts related to material bonding and electrical isolation. Target cooling, structural design, and fabrication techniques must address higher stresses and heat loads that will be present during 1.2 MW operation, as the assembly will be subject to cyclic loads and thermal expansion. Mitigations must be balanced against compromises in neutrino yield. Beam monitoring and subsystem instrumentation will be updated and added to ensure confidence in target positioning and monitoring. Remote connection to the target hall support structure must provide for the eventual upgrade to a 2.4 MW target design, without producing excessive radioactive waste or unreasonable exposure to technicians during reconfiguration. Current designs and assembly layouts will be presented, in addition to current findings on processes and possibilities for prototype and final assembly fabrication.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

A Systematic Approach to Developing Sustainable Post-Disaster Shelters in the Southern Region of the United States

This study aims to propose a sustainable shelter design involving energy savings, less environmental impact, and rapid construction. The structural design of the shelter is based on 3D-printing technology. Sustainability assessments, including life cycle analysis (LCA), life cycle energy assessment (LCEA), and energy justice of the designed shelter, were conducted to prove the sustainable shelter design. The outcomes of this study for several scenarios will not only allow decision-makers to design permanent shelters with maximized utilization of limited resources but also help local communities strengthen their ability to recover with minimal outside assistance post-disaster. Furthermore, residents can utilize the sustainable shelter to maintain critical functions, including business continuity and local business in emergencies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Emulating Multiple Inheritance in Fortran 2003/2008

Although the high-performance computing (HPC) community increasingly embraces object-oriented programming (OOP), most HPC OOP projects employ the C++ programming language. Until recently, Fortran programmers interested in mining the benefits of OOP had to emulate OOP in Fortran 90/95. The advent of widespread compiler support for Fortran 2003 now facilitates explicitly constructing object-oriented class hierarchies via inheritance and leveraging related class behaviors such as dynamic polymorphism. Although C++ allows a class to inherit from multiple parent classes, Fortran and several other OOP languages restrict or prohibit explicit multiple inheritance relationships in order to circumvent several pitfalls associated with them. Nonetheless, what appears as an intrinsic feature in one language can be modeled as a user-constructed design pattern in another language. The present paper demonstrates how to apply the facade structural design pattern to support a multiple inheritance class relationship in Fortran 2003. The design unleashes the power of the associated class relationships for modeling complicated data structures yet avoids the ambiguities that plague some multiple inheritance scenarios.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Initial Design Curves for Alloy 709 for an Improved Creep-fatigue Design Method

Creep-fatigue (CF) interaction damage is the primary damage mode for high-temperature structural components subjected to cyclic loading. Over the past several decades, researchers within the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), Section III, Division 5, have focused on developing elevated temperature code rules to ensure conservative structural designs that mitigate CF failure in high-temperature reactors. The existing CF evaluation methodologies in the Code are based on the creep and fatigue damage diagram approach, which is complex and often excessively conservative. The alternative CF evaluation approach proposed here is intended to significantly simplify the evaluation procedure while reducing conservatism in high-temperature component design analysis. This alternative CF evaluation method integrates the elastic–perfectly plastic (EPP) analysis approach with the simplified model test (SMT) CF design concept, leveraging the advantages of both methods. This report presents the preliminary analysis and the approach for developing CF design curves for Alloy 709, utilizing fatigue and CF data generated for the 100,000-hr Code Case to support its qualification to ASME Section III, Division 5 for Class A construction of high temperature reactors. This study is to support the incorporation of Alloy 709 in this alternative CF evaluation method. Recommendations for the remaining work needed to complete the effort are also provided.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An additively-manufactured molten salt-to-supercritical carbon di-oxide primary heat exchanger for solar thermal power generation – Design and techno-economic performance

The design and techno-economic performance of a compact additively manufactured (AM) molten salt (MS)-to-supercritical carbon di-oxide (sCO2) primary heat exchanger (PHE) for solar thermal application is described. The PHE design consists of sCO2 flow through an array of microscale pin fins while the MS flows through mm-scale rectangular channels. Constraints imposed by AM using laser powder bed fusion method are considered in the design. Structural and fluid flow simulations are performed to arrive at a viable design of the core and headers. A simplified one-dimensional steady state model for the PHE is developed including the impact of surface roughness from the AM process. A process-based cost model is used to determine the tradeoff between thermofluidic design and manufacturing cost. A parametric study is performed using the thermo-fluidic and cost models to determine the set of geometrical and flow variables that result in high power density and low cost, while restricting the pressure drop on the sCO2 side to less than 2% of line pressure. Flow rates of MS and sCO2 were varied over heat capacity rate ratios ranging from 0.2 to 1. Results indicate that it is possible to design a low-pressure drop AM PHE with an effectiveness of 90% and a power density in excess of 10 MW/m3 (including headers). Fabrication of representative nickel superalloy specimens are shown to demonstrate that low-porosity parts with the requisite dimensional tolerance of PHE core can be generated.

14 SOLAR ENERGY↗
DOE OSTI2017

Resilience Design Patterns: A Structured Approach to Resilience at Extreme Scale

Reliability is a serious concern for future extreme-scale high-performance computing (HPC) systems. Projections based on the current generation of HPC systems and technology roadmaps suggest the prevalence of very high fault rates in future systems. While the HPC community has developed various resilience solutions, application-level techniques as well as system-based solutions, the solution space remains fragmented. There are no formal methods and metrics to integrate the various HPC resilience techniques into composite solutions, nor are there methods to holistically evaluate the adequacy and efficacy of such solutions in terms of their protection coverage, and their performance \& power efficiency characteristics. Additionally, few of the current approaches are portable to newer architectures and software environments that will be deployed on future systems. In this paper, we develop a structured approach to the design, evaluation and optimization of HPC resilience using the concept of design patterns. A design pattern is a general repeatable solution to a commonly occurring problem. We identify the problems caused by various types of faults, errors and failures in HPC systems and the techniques used to deal with these events. Each well-known solution that addresses a specific HPC resilience challenge is described in the form of a pattern. We develop a complete catalog of such resilience design patterns, which may be used by system architects, system software and tools developers, application programmers, as well as users and operators as essential building blocks when designing and deploying resilience solutions. We also develop a design framework that enhances a designer's understanding the opportunities for integrating multiple patterns across layers of the system stack and the important constraints during implementation of the individual patterns. It is also useful for defining mechanisms and interfaces to coordinate flexible fault management across hardware and software components. The resilience patterns and the design framework also enable exploration and evaluation of design alternatives and support optimization of the cost-benefit trade-offs among performance, protection coverage, and power consumption of resilience solutions. Here, the overall goal of this work is to establish a systematic methodology for the design and evaluation of resilience technologies in extreme-scale HPC systems that keep scientific applications running to a correct solution in a timely and cost-efficient manner despite frequent faults, errors, and failures of various types.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Human-System Interface Design Review Guidelines

The U.S. Nuclear Regulatory Commission (NRC) staff reviews the human factors engineering (HFE) aspects of nuclear power plants in accordance with the Standard Review Plan (NUREG-0800, Standard Review Plan for the Review of Safety Analysis Reports for Nuclear Power Plants: LWR Edition). The Human Factors Engineering Program Review Model (NUREG-0711, Revision 3, issued November 2012) contains detailed design review procedures. As part of the review process, the interfaces between plant personnel and the plant's systems and components are evaluated for conformance with HFE guidelines. This document, Human-System Interface Design Review Guidelines (NUREG-0700, Revision 3), provides the guidelines necessary to perform this evaluation. The review guidelines address the physical and functional characteristics of human-system interfaces (HSIs). Because these guidelines only address the HFE aspects of design and not other related considerations, such as instrumentation and control and structural design, they are referred to as HFE guidelines. In addition to the review of actual HSIs, the NRC staff can use the NUREG-0700 guidelines to evaluate a design-specific HFE guidelines document or style guide. The HFE guidelines are organized into four basic parts, which are divided into sections. Part I contains guidelines for the basic HSI elements: information displays, user-interface interaction and management, and analog displays and controls. These elements are used as building blocks to develop HSI systems to serve specific functions. Part II contains the guidelines for reviewing the following HSI systems: alarm system, safety parameter display system, group-view display system, soft control system, computer-based procedure system, automation system, and communication system. Part III provides guidelines for the review of workstations and workplaces. Part IV provides guidelines for the review of HSI support (i.e., maintainability of digital systems and degraded HSI and instrumentation and control conditions).

42 ENGINEERING↗
DOE OSTI2021

Design, modeling and experimental validation of a micro cantilever beam with an electro-controllable twisting ability

The structure design of micro cantilever beams (MCBs), which has a significant effect on MCBs' controllable actuation range, is usually restricted by the establishment of the inner electric circuit. This paper proposes the design of a micro electro-controllable twisting cantilever beam (METCB). The architecture and the fabrication diagram of the proposed METCB are presented before its features are theoretically and experimentally validated. In detail, the analytical validation includes a sequence of two models: electro-thermal and thermo-mechanical. Through these two models, the thermal distribution along the METCB and the deformation brought by the thermal distribution are investigated, respectively. On the basis of the design and equations, the METCB samples have been manufactured using a planar deposition technique with an e-beam evaporator. Two in-site experiments are then conducted to sequentially figure out the upper voltage limit of the inner electric circuit and the maximum temperature limit of the METCB. Finally, another experiment is carried out to explore the relation between the applied voltage and the relative twisting angle of the METCB sample. Here, the theoretical prediction and the observed experiment result both prove the feasibility of the proposed METCB and its electro-controllable twisting ability.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Analytic analysis of load alignment for coning extreme‐scale rotors

Abstract Extreme‐scale wind turbines (rated powers greater than 10 MW) with large rotor diameters and conventional upwind designs must resist extreme downwind and gravity loads. This can lead to significant structural design challenges and high blade masses that can impede the reduction of levelized cost of wind energy. Herein, the theoretical basis for downwind load alignment is developed. This alignment can be addressed with active downwind coning to reduce/eliminate flapwise bending loads by balancing the transverse components of thrust, centrifugal, and gravitational force. Equations are developed herein that estimates the optimal coning angle that reduces flapwise loads by a specified amount. This analysis is then applied to a 13.2‐MW scale with 100‐m‐level wind turbine blades, where it is found that a load alignment coning schedule can substantially reduce the root flapwise bending moments. This moment reduction in this example can allow the rotor mass to be decreased significantly when compared with a conventional upwind three‐bladed rotor while maintaining structural performance and annual energy output.

Noyes, Carlos↗
DOE OSTI2015

Inward Lithium-Ion Breathing of Hierarchically Porous Silicon Anodes

Silicon has been identified as one of the most promising candidates as anode for high performance lithium-ion batteries. The key challenge for Si anodes is the large volume change induced chemomechanical fracture and subsequent rapid capacity fading upon cyclic charge and discharge. Improving capacity retention thus critically relies on smart accommodation of the volume changes through nanoscale structural design. In this work, we report a novel fabrication method for hierarchically porous Si nanospheres (hp-SiNSs), which consist of a porous shell and a hollow core. Upon charge/discharge cycling, the hp-SiNSs accommodate the volume change through reversible inward expansion/contraction with negligible particle-level outward expansion. Our mechanics analysis revealed that such a unique volume-change accommodation mechanism is enabled by the much stiffer modulus of the lithiated layer than the unlithiated porous layer and the low flow stress of the porous structure. Such inward expansion shields the hp-SiNSs from fracture, opposite to the outward expansion in solid Si during lithiation. Lithium ion battery assembled with this new nanoporous material exhibits high capacity, high power, long cycle life and high coulombic efficiency, which is superior to the current commercial Si-based anode materials. We find the low cost synthesis approach reported here provides a new avenue for the rational design of hierarchically porous structures with unique materials properties.

25 ENERGY STORAGE↗
DOE OSTI2017

Towards strength–ductility synergy through the design of heterogeneous nanostructures in metals

Metals can be processed to reach ultra-high strength, but usually at a drastic loss of ductility. Here, we review recent advances in overcoming this tradeoff, by purposely deploying heterogeneous nanostructures in an otherwise single-phase metal. Several structural designs are being explored, including bimodal, harmonic, lamellar, gradient, domain-dispersed, and hierarchical nanostructures. These seemingly distinct tactics share a unifying design principle in that the intentional structural heterogeneities induce non-homogeneous plastic deformation, and the nanometer-scale features dictate steep strain gradients, thereby enhancing strain hardening and consequently uniform tensile ductility at high flow stresses. Moreover, these heterogeneous nanostructures in metals play a role similar to multiple phases in complex alloys, functionally graded materials and composites, sharing common material design and mechanics principles. Our review advocates this broad vision to help guide future innovations towards a synergy between high strength and high ductility, through highlighting several recent designs as well as identifying outstanding challenges and opportunities.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Understanding the structural mechanics of ligated DNA crystals via molecular dynamics simulation

DNA self-assembly is a highly programmable method to construct arbitrary architectures based on sequence complementarity. Among various constructs, DNA crystals are macroscopic crystalline materials formed by assembling motifs via sticky end association. Due to their high structural integrity and size ranging from tens to hundreds of micrometers, DNA crystals offer unique opportunities to study the structural properties and deformation behaviors of DNA assemblies. For example, enzymatic ligation of sticky ends can selectively seal nicks resulting in more robust structures with enhanced mechanical properties. However, the research efforts have been mostly on experiments involving different motif designs, structural optimization, or new synthesis methods, while their mechanics are not yet fully understood. The complex properties of DNA crystals are difficult to study via experiments alone, and numerical simulation can complement and aid the experiments. The coarse-grained molecular dynamics (MD) simulation is a powerful tool that can probe the mechanics of DNA assemblies. Here, we investigate DNA crystals made of four different motif lengths with various ligation patterns (full ligation, major directions, connectors, and in-plane) using oxDNA, an open-source, coarse-grained MD platform. We found that several distinct deformation stages emerge in response to mechanical loading and that the number and the location of ligated nucleotides can significantly modulate structural behaviors. These findings should be useful for predicting crystal properties and thus improving the design.

DNA crystal↗