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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

On the Need for a Unified and Collaboratively Developed Residential Building Simulation Platform

Residential building energy simulations are becoming ever more pervasive; they form the basis of energy efficient building design, zero energy goals, codes and standards, home certification and ratings industries, utility programs, regional/state planning, and technology assessments. And yet the residential building simulation community is highly fragmented with a patchwork of simulation engines with varying models, inputs, assumptions, and results. This inconsistency degrades confidence in these tools, increases industry-wide development and maintenance costs, and slows the availability of new efficiency technology models. The need for collaboration on an impartial, transparent, and capable residential building simulation platform has never been greater. But to develop and maintain a state-of-the-art simulation platform requires a dedicated and sustained investment. By leveraging existing resources and expertise from multiple entities/regions, a unified and collaboratively developed simulation platform can provide increased levels of energy efficiency at an accelerated pace. This paper presents the advantages and disadvantages of a unified residential building simulation platform in relationship to four real-world examples (RESNET HERS ratings, utility programs, California's Title 24, and DOE). The paper covers recent developments and improved capabilities that may move us closer to an ideal simulation platform and what challenges remain. The hope is to spur a frank and honest dialogue about how to work together towards the vision of achieving deeper and more reliable energy savings in the residential buildings industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Rarefaction-driven Rayleigh–Taylor instability. Part 2. Experiments and simulations in the nonlinear regime

Experiments and large eddy simulation (LES) were performed to study the development of the Rayleigh–Taylor instability into the saturated, nonlinear regime, produced between two gases accelerated by a rarefaction wave. Single-mode two-dimensional, and single-mode three-dimensional initial perturbations were introduced on the diffuse interface between the two gases prior to acceleration. The rarefaction wave imparts a non-constant acceleration, and a time decreasing Atwood number, $A=(\unicode[STIX]{x1D70C}_{2}-\unicode[STIX]{x1D70C}_{1})/(\unicode[STIX]{x1D70C}_{2}+\unicode[STIX]{x1D70C}_{1})$ , where $\unicode[STIX]{x1D70C}_{2}$ and $\unicode[STIX]{x1D70C}_{1}$ are the densities of the heavy and light gas, respectively. Experiments and simulations are presented for initial Atwood numbers of $A=0.49$ , $A=0.63$ , $A=0.82$ and $A=0.94$ . Nominally two-dimensional (2-D) experiments (initiated with nearly 2-D perturbations) and 2-D simulations are observed to approach an intermediate-time velocity plateau that is in disagreement with the late-time velocity obtained from the incompressible model of Goncharov ( Phys. Rev. Lett. , vol. 88, 2002, 134502). Reacceleration from an intermediate velocity is observed for 2-D bubbles in large wavenumber, $k=2\unicode[STIX]{x03C0}/\unicode[STIX]{x1D706}=0.247~\text{mm}^{-1}$ , experiments and simulations, where $\unicode[STIX]{x1D706}$ is the wavelength of the initial perturbation. At moderate Atwood numbers, the bubble and spike velocities approach larger values than those predicted by Goncharov’s model. These late-time velocity trends are predicted well by numerical simulations using the LLNL Miranda code, and by the 2009 model of Mikaelian ( Phys. Fluids. , vol. 21, 2009, 024103) that extends Layzer type models to variable acceleration and density. Large Atwood number experiments show a delayed roll up, and exhibit a free-fall like behaviour. Finally, experiments initiated with three-dimensional perturbations tend to agree better with models and a simulation using the LLNL Ares code initiated with an axisymmetric rather than Cartesian symmetry.

42 ENGINEERING↗
DOE OSTI2025

A Novel Approach for Computing Rigid Body Motion Using Linear Accelerations

Here, a novel approach is presented for computing general rigid body motion based on a few known linear accelerations. This method utilizes linear acceleration data obtained from three distinct points on the body, all within a body-fixed reference frame. The only requirement is that the three chosen points must not be collinear. A system of differential-algebraic equations is derived, combining principles of rigid body kinematics with theory of the rotation group SO(3). These equations provide a framework for numerically computing various motion parameters, including angular velocity, angular acceleration, body orientation, velocity field, acceleration field, and displacement field. By numerically solving this system of equations, we can fully characterize rigid body motion in three-dimensional space. A numerical example is provided to demonstrate the practical implementation and efficacy of the proposed technique, illustrating its potential for accurate motion computation in various applications.

42 ENGINEERING↗
DOE OSTI2017

Non-contacting "snubber bearing" for passive magnetic bearing systems

A new non-contacting magnetic "snubber" bearing is provided for application to rotating systems such as vehicular electromechanical battery systems subject to frequent accelerations. The design is such that in the equilibrium position the drag force of the snubber is very small (milliwatts). However in a typical case, if the rotor is displaced by as little as 2 millimeters a large restoring force is generated without any physical contact between the stationary and rotating parts of the snubber bearing.

25 ENERGY STORAGE↗
DOE OSTI2024

DuraMAT FY 2023 Annual Report: Toward Reliability Forecasting

The Durable Module Materials Consortium (DuraMAT) launched in November 2016 with five years of funding from the U.S. Department of Energy s (DOE's) Solar Energy Technologies Office (SETO). The program renewed in 2022 for an additional 6 years. DuraMAT is a multi-lab consortium led by the National Renewable Energy Laboratory, with Sandia National Laboratories (Sandia) and Lawrence Berkeley National Laboratory (LBNL) as core research labs. DuraMAT's overarching goal is to accelerate a sustainable, just, and equitable transition to zero-carbon electricity generation by 2035. 2023 has been a wild ride in the solar industry. Photovoltaic (PV) manufacturing is coming back to the United States, and deployment is booming again. DuraMAT has a unique opportunity to support flourishing manufacturing and deployment over the next couple of years.

durable module↗
DOE OSTI2019

Materials 2018 Annual Progress Report

The Materials Technology Program supports the Vehicles Technologies Office’s mission to help consumers and businesses reduce their transportation energy costs while meeting or exceeding vehicle performance expectations. The propulsion materials research portfolio seeks to develop higher performance materials that can withstand increasingly extreme environments and address the future properties needs of a variety of high-efficiency powertrain types, sizes, fueling concepts, and combustion modes. Advanced lightweight materials enable improvements in fuel economy by providing properties that are equal to or better than traditional materials at a lower weight. Because it takes less energy to accelerate a lighter object, replacing cast-iron and traditional steel components with lightweight materials such as high-strength steel, magnesium (Mg), aluminum (Al), and polymer composites can directly reduce a vehicle’s fuel consumption. Materials technology activities focus on the following cost and performance targets: (1) enable a 25% weight reduction for light-duty (LD) vehicles including body, chassis, and interior as compared to a model year 2012 baseline at no more than a $\$$5/lb-saved increase in cost; and (2) validate a 25% improvement in high-temperature (300°C) development of engine exhaust catalyst materials strength relative to components made with 2010 baseline cast Al alloys (A319 or A356) for improved efficiency LD engines.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Brochure for the DOE Office of Science Workshop on Envisioning Frontiers in AI and Computing for Biological Research

In February of 2025 a joint ASCR/BER workshop was held to identify key transformational research directions for understanding biology using artificial intelligence (AI), digital twins and high-performance (HPC) computational methods to facilitate scientific discovery and innovation in support of the Department of Energy mission. AI technologies offer exciting new groundbreaking methods to analyze large volumes of complex biological data, thereby greatly accelerating the ability to understand, predict, and design biological processes for beneficial purposes. In the laboratory, the bridging of AI-enabled automated experimental technologies, HPC and digital twins will provide potent tools for researchers to explore the fundamental nature of biology and harness its inherent metabolic potential for a variety of beneficial purposes. The focus of this workshop was on how high-performance computational methods can impact this objective by exploring digital twins, foundational models, and data-driven approaches with applications to advance automated laboratory experiments, modeling of complex living systems and engineering new functions into plants and microbial systems relevant to DOE mission. Workshop attendees with expertise in plant science, microbiology, mathematics, computer science, and AI assessed the current state of the science, trends, and AI challenges at the interface of plant and microbial systems biology and computational science to identify opportunities for high-impact research. This collaborative effort capitalized on ASCR's advancements in applied mathematics, computer science, and Exascale systems, and BER's expertise in basic genomics-enabled research on DOE relevant plant and microbial systems. The workshop culminated in four key priority research directions to guide future research and development within DOE Office of Science programs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Synthesis and Characterization of Pt–Ag Alloy Nanocages with Enhanced Activity and Durability toward Oxygen Reduction

Engineering the elemental composition of metal nanocrystals offers an effective strategy for the development of catalysts or electrocatalysts with greatly enhanced activity. Herein, we report the synthesis of Pt–Ag alloy nanocages with an outer edge length of 18 nm and a wall thickness of about 3 nm. Such nanocages with a composition of Pt 19 Ag 81 could be readily prepared in one step through the galvanic replacement reaction between Ag nanocubes and a Pt(II) precursor. Here, after 10 000 cycles of potential cycling in the range of 0.60–1.0 V as in an accelerated durability test, the composition of the nanocages changed to Pt 56 Ag 44 , together with a specific activity of 1.23 mA cm –2 toward oxygen reduction, which was 3.3 times that of a state-of-the-art commercial Pt/C catalyst (0.37 mA cm –2 ) prior to durability testing. Density functional theory calculations attributed the increased activity to the stabilization of the transition state for breaking the O–O bond in molecular oxygen. Even after 30 000 cycles of potential cycling, the mass activity of the nanocages only dropped from 0.64 to 0.33 A mg –1 Pt , which was still about two times that of the pristine Pt/C catalyst (0.19 A mg –1 Pt ).

36 MATERIALS SCIENCE↗
DOE OSTI2020

Greenhouse gas consequences of the China dual credit policy

For over ten years, China has been the largest vehicle market in the world. In order to address energy security and air quality concerns, China issued the Dual Credit policy to improve vehicle efficiency and accelerate New Energy Vehicle adoption. In this paper, a market-penetration model is combined with a vehicle fleet model to assess implications on greenhouse gas (GHG) emissions and energy demand. Here we use this integrated modeling framework to study several scenarios, including hypothetical policy tweaks, oil price, battery cost and charging infrastructure for the Chinese passenger vehicle fleet. The model shows that the total GHGs of the Chinese passenger vehicle fleet are expected to peak in 2032 under the Dual Credit policy. A significant reduction in GHG emissions is possible if more efficient internal combustion engines continue to be part of the technology mix in the short term with more New Energy Vehicle penetration in the long term.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

In vitro prototyping and rapid optimization of biosynthetic enzymes for cell design

The design and optimization of biosynthetic pathways for industrially relevant, non-model organisms is challenging due to transformation idiosyncrasies, reduced numbers of validated genetic parts and a lack of high-throughput workflows. Here we describe a platform for in vitro prototyping and rapid optimization of biosynthetic enzymes (iPROBE) to accelerate this process. In iPROBE, cell lysates are enriched with biosynthetic enzymes by cell-free protein synthesis and then metabolic pathways are assembled in a mix-and-match fashion to assess pathway performance. We demonstrate iPROBE by screening 54 different cell-free pathways for 3-hydroxybutyrate production and optimizing a six-step butanol pathway across 205 permutations using data-driven design. Observing a strong correlation (r = 0.79) between cell-free and cellular performance, we then scaled up our highest-performing pathway, which improved in vivo 3-HB production in Clostridium by 20-fold to 14.63 ± 0.48 g l -1 . Finally, we expect iPROBE to accelerate design–build–test cycles for industrial biotechnology.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Monofluorinated acetal electrolyte for high-performance lithium metal batteries

High degree of fluorination for ether electrolytes has resulted in improved cycling stability of lithium metal batteries due to stable solid electrolyte interphase (SEI) formation and good oxidative stability. However, the sluggish ion transport and environmental concerns of high fluorination degree drive the need to develop less fluorinated structures. Here, we depart from the traditional ether backbone and introduce bis(2-fluoroethoxy)methane (F2DEM), featuring monofluorination of the acetal backbone. High coulombic efficiency and stable long-term cycling in Li||Cu half cells can be achieved with F2DEM even under fast Li metal plating conditions. The performance of F2DEM is further compared with diethoxymethane (DEM) and 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane (F5DEE). A significantly lower overpotential is observed with F2DEM, which improves energy efficiency and enables its application in high-rate conditions. Comparative studies of F2DEM with DEM and F5DEE in anode-free lithium iron phosphate (LiFePO4) LFP pouch cells and high-loading LFP coin cells further show improved capacity retention of F2DEM electrolyte, demonstrating its practical applicability. More importantly, we also extensively investigate the underlying mechanism for the superior performance of F2DEM through various techniques, including X-ray photoelectron spectroscopy, scanning electron microscopy, cryogenic electron microscopy, focused ion beam, electrochemical impedance spectroscopy, and titration gas chromatography. Overall, F2DEM facilitates improved Li deposition morphology with reduced amount of dead Li. This enables F2DEM to show superior performance, especially under higher charging and slower discharging rate conditions.

25 ENERGY STORAGE↗
DOE OSTI2025

Yeast Transformation on Hamilton Vantage (YT Vantage) v1

Our software program is designed for the Hamilton Vantage liquid handling robot, automating the Build step in the Design-Build-Test-Learn (DBTL) cycle for Saccharomyces cerevisiae. This program minimizes human intervention, enabling rapid identification of pathway bottlenecks and genes that enhance verazine production. The program takes competent yeast and plasmid DNA as input and generates an output library of engineered strains compatible with automated colony picking, high-throughput culturing, and chemical extraction for downstream LC-MS analysis. A user-friendly interface, developed using the Hamilton Method Editor software, allows for on-demand parameter customization. By automating this process, our program streamlines the construction of Saccharomyces cerevisiae, reducing manual labor and increasing efficiency. While the manual process is well-documented, integration with robotic automation is less common, making our program a valuable tool for researchers. With this software, we achieved 2-5 fold increases in verazine production, demonstrating its potential to accelerate research in this field.

Louie, Randy [Lawrence Berkeley National Laborator↗
DOE OSTI2024

A Simulation and Optimization Framework for Managing Wind-Driven Loading on PV Systems

As PV modules continue to trend toward larger, thinner, and more flexible forms they grow more susceptible to damage from dynamic wind loading. As a result, understanding the impact of wind on PV systems, particularly when mounted on solar-tracking hardware, and identifying robust, stable array layouts and stow strategies is becoming increasingly important for the PV community. We are developing an open-source software package, PVade (PV aerodynamic design engineering), to simulate the cascading fluid-structure interaction that occurs within solar-tracking arrays to enable researchers to test hardware, layout, and tracker control changes, leading to enhanced stability and a reduction in wind-driven damage. We will give an overview of the PVade software and present the latest outcomes from our ongoing validation campaign in which we compare statistical structural responses with field data. From there, we will present simulated results from a larger, multi-row array and highlight the effect of varying tracker angles on stability as measured by both acceleration and deformation, focusing on the stability differences between positive and negative tilt angles.

fluid structure interaction↗
DOE OSTI2024

A Case Study of Multimodal, Multi-institutional Data Management for the Combinatorial Materials Science Community

Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functional materials and acceleration of their design will require addressing the deficiencies that currently exist in materials informatics, particularly a lack of standardized experimental data management. The challenges associated with experimental data management are especially true for combinatorial materials science, where advancements in automation of experimental workflows have produced datasets that are often too large and too complex for human reasoning. The data management challenge is further compounded by the multimodal and multi-institutional nature of these datasets, as they tend to be distributed across multiple institutions and can vary substantially in format, size, and content. Furthermore, modern materials engineering requires the tuning of not only composition but also of phase and microstructure to elucidate processing–structure–property–performance relationships. To adequately map a materials design space from such datasets, an ideal materials data infrastructure would contain data and metadata describing (i) synthesis and processing conditions, (ii) characterization results, and (iii) property and performance measurements. In this work, we present a case study for the low-barrier development of such a dashboard that enables standardized organization, analysis, and visualization of a large data lake consisting of combinatorial datasets of synthesis and processing conditions, X-ray diffraction patterns, and materials property measurements generated at several different institutions. While this dashboard was developed specifically for data-driven thermoelectric materials discovery, we envision the adaptation of this prototype to other materials applications, and, more ambitiously, future integration into an all-encompassing materials data management infrastructure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Long-Term Thermal Aging of Modified Sylgard 184 Formulations

Primarily used as an encapsulant and soft adhesive, Sylgard 184 is an engineered, high-performance silicone polymer that has applications spanning microfluidics, microelectromechanical systems, mechanobiology, and protecting electronic and non-electronic devices and equipment. Despite its ubiquity, there are improvements to be considered, namely, decreasing its gel point at room temperature, understanding volatile gas products upon aging, and determining how material properties change over its lifespan. In this work, these aspects were investigated by incorporating well-defined compounds (the Ashby–Karstedt catalyst and tetrakis (dimethylsiloxy) silane) into Sylgard 184 to make modified formulations. As a result of these additions, the curing time at room temperature was accelerated, which allowed for Sylgard 184 to be useful within a much shorter time frame. Additionally, long-term thermal accelerated aging was performed on Sylgard 184 and its modifications in order to create predictive lifetime models for its volatile gas generation and material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding and quantifying electron beam effects during in situ TEM nanomechanical tensile testing on metal thin films

Transmission electron microscopy (TEM) imaging relies on high energy electrons for atomic scale resolution, however, the electrons themselves interact with and may alter the material being imaged. Using an in situ TEM MEMS-based nanomechanical testing technique, the effect of the electron beam (e-beam) on the deformation behavior of nanocrystalline Al and ultrafine-grained Au is investigated and quantified. We show that the e-beam enhances plastic deformation, leading to an increase in plastic strain rate and a decrease in true activation volume V* in Al (28 to 21b 3 , with b being the Burgers vector length). The e-beam has a much weaker effect on Au. The e-beam effect is not caused by knock-on damage, but rather an effective temperature increase due to additional atomic fluctuations provided by the e-beam. The effective temperature increase is larger for Al than Au. This e-beam effect does not change the deformation mechanisms, but instead accelerates the stress-driven, thermally activated plastic deformation. These experiments provide insight into the effects of the e-beam on plastic deformation in different metals and underscore the importance of understanding and quantifying these effects for proper interpretation of measured mechanical properties during in situ TEM experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Verification Testing of Body Forces due to a Prescribed Angular Velocity in DYNA3D/Paradyn

This report documents the verification testing and regression testing done on a new feature in DYNA3D/Paradyn, which allows users to prescribe body force loads based upon an angular velocity. This feature is unique in that the direction of the angular velocity vector follows the unit vector formed by two coordinate points associated with two nodes or the average coordinates of two separate small collection of nodes. The angular velocity direction will follow the directional vector defined by these nodes while the angular velocity magnitude is defined by a load curve. A simple single element verification test was performed to determine the correct implementation of this feature, and two separate regression tests were added to the DYNA3D Software Quality Assur ance test suite. The nodal positions, velocities, and accelerations from the solution of the single element verification test compare well to analytically derived values of those nodal quantities. The regression tests serve as good examples of this new feature’s use case and were consequently added to the SQA test suite to ensure that further modifications of the DYNA3D source code do not unintentionally change the generated baseline answers.

42 ENGINEERING↗
DOE OSTI2024

Study of the heat pipe vapor flow using the MOOSE application Sockeye and the CFD code Nek5000

Heat pipes are efficient heat transfer devices used in various applications, including nuclear microreactors. Heat pipe-cooled microreactors offer advantages in size and cost, which can significantly accelerate their deployment and adoption. Developing accurate models of heat pipes is crucial for a heat pipe-cooled microreactor design and operation. In this work a verification and validation of the heat pipe application Sockeye is presented. Results are compared against RANS simulations, performed with the code Nek5000, and the SPHERE experiment, conducted at INL.

42 ENGINEERING↗