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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Machine learning-driven design and self-sensing capabilities of automotive bumper lattices for adaptive impact response

We present a novel approach to design an automotive bumper energy absorber using carbon fiber reinforced polymer composites, optimized to meet conflicting performance requirements for two distinct impact scenarios. The design must satisfy both a low-speed (2.5 mph) pendulum intrusion test, simulating vehicle-to-vehicle collisions, and a high-speed (25 mph) leg flexion test, replicating pedestrian impacts. These tests demand opposing deformation characteristics: high flexibility (deformation < 85 mm) for the former and high stiffness (deformation < 22 mm) for the latter. To address these contradictory requirements, we developed a machine learning (ML) framework for inverse optimization of lattice designs and material selection. Unlike traditional iterative design processes, our ML model directly outputs optimal design parameters and material choices based on target performance inputs. The energy absorber was fabricated using advanced additive manufacturing techniques, including extrusion deposition and digital light processing. The integration of carbon fibers provides multifunctionality to the bumper structure, enabling self-sensing capabilities through changes in electrical resistivity under compression. This electrical response demonstrates high repeatability under multiple cycles at 2% compression and exhibits distinct signatures during crack formation under high deformation. This research offers adaptive performance through innovative design methodologies and smart material integration. The approach has potential applications in various fields requiring adaptive energy absorption and real-time structural health monitoring.

Chawla, Komal [ORNL] (ORCID:0000000190327565)↗
DOE OSTI2024

Design of intrinsically disordered protein variants with diverse structural properties

Intrinsically disordered proteins (IDPs) perform a broad range of functions in biology, suggesting that the ability to design IDPs could help expand the repertoire of proteins with novel functions. Computational design of IDPs with specific conformational properties has, however, been difficult because of their substantial dynamics and structural complexity. We describe a general algorithm for designing IDPs with specific structural properties. We demonstrate the power of the algorithm by generating variants of naturally occurring IDPs that differ in compaction, long-range contacts, and propensity to phase separate. We experimentally tested and validated our designs and analyzed the sequence features that determine conformations. We show how our results are captured by a machine learning model, enabling us to speed up the algorithm. Our work expands the toolbox for computational protein design and will facilitate the design of proteins whose functions exploit the many properties afforded by protein disorder.

Science & Technology - Other Topics↗
DOE OSTI2022

Computational design of mechanically coupled axle-rotor protein assemblies

Natural molecular machines contain protein components that undergo motion relative to each other. Designing such mechanically constrained nanoscale protein architectures with internal degrees of freedom is an outstanding challenge for computational protein design. Here we explore the de novo construction of protein machinery from designed axle and rotor components with internal cyclic or dihedral symmetry. We find that the axle-rotor systems assemble in vitro and in vivo as designed. Using cryo–electron microscopy, we find that these systems populate conformationally variable relative orientations reflecting the symmetry of the coupled components and the computationally designed interface energy landscape. These mechanical systems with internal degrees of freedom are a step toward the design of genetically encodable nanomachines.

Science & Technology - Other Topics↗
DOE OSTI2023

Design of stimulus-responsive two-state hinge proteins

In nature, proteins that switch between two conformations in response to environmental stimuli structurally transduce biochemical information in a manner analogous to how transistors control information flow in computing devices. Designing proteins with two distinct but fully structured conformations is a challenge for protein design as it requires sculpting an energy landscape with two distinct minima. Here, in this work, we describe the design of “hinge” proteins that populate one designed state in the absence of ligand and a second designed state in the presence of ligand. X-ray crystallography, electron microscopy, double electron-electron resonance spectroscopy, and binding measurements demonstrate that despite the significant structural differences the two states are designed with atomic level accuracy and that the conformational and binding equilibria are closely coupled.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Robust Optimal Experimental Design of Infinite-Dimensional Bayesian Nonlinear Inverse Problems

Abstract. We consider robust optimal experimental design (ROED) for nonlinear Bayesian inverse problems governed by partial differential equations (PDEs). An optimal design is one that maximizes some utility quantifying the quality of the solution of an inverse problem. However, the optimal design is dependent on elements of the inverse problem such as the simulation model, the prior, or the measurement error model. ROED aims to produce an optimal design that is aware of the additional uncertainties encoded in the inverse problem and remains optimal even after variations in them. We follow a worst-case scenario approach to develop a new framework for robust optimal design of nonlinear Bayesian inverse problems. The proposed framework (a) is scalable and designed for infinite-dimensional Bayesian nonlinear inverse problems constrained by PDEs; (b) develops efficient approximations of the utility, namely the expected information gain; (c) employs eigenvalue sensitivity techniques to develop analytical forms and efficient evaluation methods of the gradient of the utility with respect to the uncertainties against which we wish to be robust; and (d) employs a probabilistic optimization paradigm that properly defines and efficiently solves the resulting combinatorial max-min optimization problem. The effectiveness of the proposed approach is illustrated for optimal sensor placement problem in an inverse problem governed by an elliptic PDE.

Chowdhary, Abhijit↗
DOE OSTI2026

Towards Generalizable and Efficient Circuit Topology Design: A Graph-Transformer-based Surrogate Model with Curriculum Learning

Unlike circuit parameter and sizing optimizations, the automated design of analog circuit topologies poses significant challenges for learning-based approaches. One challenge arises from the combinatorial growth of the topology space with circuit size, which limits the topology optimization efficiency. Moreover, traditional circuit evaluation methods are time-consuming, while the presence of data discontinuity in the topology space makes the accurate prediction of circuit performance exceptionally difficult for unseen topologies. To tackle these challenges, we design a novel Graph-Transformer-based Network (GTN) as the surrogate model for circuit evaluation, offering a substantial acceleration in the speed of circuit topology optimization without sacrificing performance. Our GTN model architecture is designed to embed voltage changes in circuit loops and current flows in connected devices, enabling accurate performance predictions for circuits with unseen topologies. To address the cold start problem when scaling GTN to large-scale circuits, we further introduce a curriculum learning strategy that progressively trains GTN from small-scale to large-scale circuits. This approach enables the model to first learn fundamental physical principles from simpler topologies and gradually adapt to complex configurations, effectively bridging the circuit complexity gap and improving prediction accuracy. Taking the power converter circuit design as an experimental task, our GTN model significantly outperforms an analytical approach and baseline methods directly utilizing graph neural networks. Furthermore, GTN achieves less than 5% relative error and 196× speed-up compared with high-fidelity simulation. Notably, our GTN surrogate model empowers an automatic circuit design framework to discover circuits of comparable quality to those identified through high-fidelity simulation while reducing the time required by up to 98.2%. With curriculum learning, the enhanced GTN achieves a 51% improvement for performance prediction of large-scale circuits compared to the GTN model without this strategy. These advancements establish GTN as a scalable framework for automated analog circuit design across varying circuit complexity levels.

Lu, Haoshu [New Jersey Institute of Technology (NJ↗
DOE OSTI2026

MADA: Multi-Agent Design Assistant

MADA (Multi-Agent Design Assistant) is a Large Language Model (LLM) powered multi-agent framework that coordinates specialized agents for complex design workflows. The system was designed for HPC workflows with the following agents in mind: 1) A Job Management Agent (JMA) launches and manages ensemble simulations on HPC systems, 2) a Geometry Agent (GA) generates meshes, and 3) an Inverse Design Agent (IDA) proposes new designs informed by simulation outcomes. Our framework reduces cumbersome manual workflow setup, and enables automated design exploration at scale. However, the software also enables users to rapidly create new multi-agent systems. Simply define new agents in a configuration file, giving each their own set of tools (via MCP), and then chat and prompt your new multi-agent system. Is

Gunnarson, BrianS [Lawrence Livermore National Lab↗
DOE OSTI2022

An economics-by-design approach to a radiant integrated thermophotovoltaic microreactor system

This paper presents an application of the economics-by-design approach to the Radiant Integrated Thermo-photovoltaic Microreactor System (RITMS). The RITMS design is unique in that it directly couples a critical fission reactor with thermo-photovoltaic (TPV) panels for high efficiency energy conversion. This significant shift from electric conversion using traditional dynamic heat pumps leads to a simpler and more reliable system without turbomachinery and high pressurization. In working towards wrapping up the early design work, the economics-by-design approach, which centers economic competitiveness as the optimization parameter, is well suited in making a final determination on viability. This paper describes the computational sequence that was developed to couple the radiative and conductive heat transfer and feed operational performance to cost estimation. The framework was applied to maximize the power of the system, while minimizing the fuel enrichment. This method is applied to a reference RITMS design as part of a parametric sensitivity study, which revealed that the system is under moderated and that single unit plants could produce power as low as 300 dollar/MWh. This price point supports the notion that early in the RITMS design implementation, adoption into niche markets as a first-of-a-kind technology is possible. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Sensitivity-based Similarity Metrics for New Experiment Design Optimization

The nuclear data used in advanced reactor simulations requires validation. Data from nuclear criticality experiments can provide this validation. New nuclear criticality experiment design requires extensive knowledge and expert judgement such that the experimental design parameters are selected in such a way to keep the experiment subcritical. To aide in this experimental design process, professionals can utilize sensitivity and uncertainty analysis. Sensitivity and uncertainty analysis relies on matching new application experiments with currently existing benchmark experiments. Currently, there is functionality in the Whisper 1.1 software package to calculate a similarity metric based on neutron multiplication factor sensitivity coefficients between a new application designed by the user and existing International Criticality Safety Benchmark Experiment Project (ICSBEP) benchmarks. The Whisper 1.1 software package is included in Monte Carlo N-Particle ® Code Version 6.21 (MCNP ® 6.2). This work is geared toward expanding this capability to new similarity metrics based on beta-effective sensitivity coefficients and reactivity coefficient sensitivity coefficients. While the investigation of these sensitivity coefficients is presented in detail in separate works at this same conference, this work will be primarily focused on studying the similarity metrics in more detail. These similarity metrics will then be incorporated into the optimization algorithms used for experiment design in EUCLID (Experiments Underpinned by Computational Learning for Improvements in nuclear Data), which is a Los Alamos National Laboratory (LANL) project designed to constrain nuclear data of interest, such that adjustments can be made to possible inaccuracies. A more detailed optimization can be subsequently performed by breaking down these similarity metrics by isotope, reaction, and energy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Design of an Out-Of-Pile Experimental Facility to Demonstrate the Feasibility of In Situ Thermal Conductivity Measurements of Nuclear Fuels Under Irradiation

There is substantial merit in quantifying nuclear fuel performance under irradiation. At Oak Ridge National Laboratory (ORNL), the MiniFuel irradiation platform has become the primary test vehicle for conducting separate-effects fuel performance irradiation experiments. The MiniFuel experiment is a passively controlled capsule design deployed in the High Flux Isotope Reactor (HFIR) through which fuel performance data is collected post-irradiation. Separate effects fuels irradiation capabilities are being expanded at ORNL by developing instrumented capsule designs that aim to capture fuel performance phenomena in-situ. One such capsule will specifically target fuel specimen thermal conductivity changes as a function of fuel burnup. Due to the complexity of making this measurement on nuclear fuel in-pile, this paper describes the necessary out-of-pile testing conducted on the thermal conductivity capsule (TCC) design. The measurement is ascertained via a thermopile system with heat transferred unidirectionally through a surrogate fuel specimen sandwiched between two conductive materials. The capsules investigated in this study are representative of the in-pile design, with the primary departure from irradiation conditions being the distribution of heat generation within the capsule. In the out-of-pile experiment, an external heater was used to drive heat through the conductive slug materials and into the specimen. This paper expounds the design of the out-of-pile experimental system and the thermal conductivity measurement technique. Predictive models used to determine the sensitivity of the measurement to variables governing thermal contact conductance between the specimen and slug materials and to predict experimental results are also described. Data from the out-of-pile experiment will be used to validate the readiness of the design for insertion into HFIR for irradiation.

Parker, Trevor [ORNL]↗
DOE OSTI2023

Design tradeoffs between traditional hexagonal and emerging cubic In X Ga (1–X) N/GaN-based green light-emitting diodes

Here, we report on the design tradeoffs between traditional hexagonal and emerging cubic In X Ga (1–X) N/GaN -based green (520 nm≤ λ ≤550 nm) light-emitting diodes with special emphasis on the electron blocking layer, number of quantum wells, and thicknesses of quantum wells and barriers. We identified three crucial design rules for cubic green light-emitting diodes: (1) no need for an electron blocking layer; (2) use of a wide quantum well; and (3) choice of thin quantum barriers in multi-quantum well light-emitting diode designs. These design rules increase the internal quantum efficiency of cubic green light-emitting diodes by ~30.5% under 100A/cm 2 injection with respect to traditional designs. Overall, the design rules of cubic light-emitting diodes and their differentiating nature from the traditional, hexagonal ones are crucial for the advent of next-generation cubic light-emitting diodes.

42 ENGINEERING↗
DOE OSTI2023

Interpretable inverse-designed cavity for on-chip nonlinear photon pair generation

Inverse design is a powerful tool in wave physics for compact, high-performance devices. To date, applications in photonics have mostly been limited to linear systems and it has rarely been investigated or demonstrated in the nonlinear regime. In addition, the “black box” nature of inverse design techniques has hindered the understanding of optimized inverse-designed structures. We propose an inverse design method with interpretable results to enhance the efficiency of on-chip photon generation rate through nonlinear processes by controlling the effective phase-matching conditions. We fabricate and characterize a compact, inverse-designed device using a silicon-on-insulator platform that allows a spontaneous four-wave mixing process to generate photon pairs at a rate of 1.1 MHz with a coincidence to accidental ratio of 162. Our design method accounts for fabrication constraints and can be used for scalable quantum light sources in large-scale communication and computing applications.

42 ENGINEERING↗
DOE OSTI2021

Beam-Beam Related Design Parameter Optimization for the Electron-Ion Collider

The design luminosity goal for the Electron-Ion Collider (EIC) is 1e34 cm⁻²s⁻¹. To achieve such a high luminosity, the EIC design adopts high bunch intensities, flat beams at the interaction point (IP) with a small vertical β^{*}-function, and a high collision frequency, together with crab cavities to compensate the geometrical luminosity loss due to the large crossing angle of 25mrad. In this article, we present our strategies and approaches to obtain the design luminosity by optimizing some key beam-beam related design parameters. Through our extensive strong-strong and weak-strong beam-beam simulations, we found that beam flatness, electron and proton beam size matching at the IP, electron and proton working points, and synchro-betatron resonances arising from the crossing angle collision play a crucial role in proton beam size growth and luminosity degradation. After optimizing those parameters, we found a set of beam-beam related design parameters to reach the design luminosity with an acceptable beam-beam performance.

Luo, Y.↗
DOE OSTI2024

Horizontal Splitter Design For FFA@CEBAF Energy Upgrade: Current Status

Thomas Jefferson National Accelerator Facility (Jefferson Lab) is currently studying the feasibility of an energy upgrade based upon Fixed-Field Alternating Gradient (FFA) permanent magnet technology. The current plan is to replace the highest-energy recirculation arcs with FFA arcs, increasing the total number of beam recirculations, thus the energy. In order to accommodate multiple passes in the FFA arcs, horizontal splitters are being designed to control the beam parameters entering the FFA arcs, as well as the time of flight and R_56. In the current design, six passes will recirculate through the FFA arcs, necessitating the design of six independent beamlines to control the optics and beam dynamics matching into the arcs. These beamlines must fit into the current CEBAF tunnel, while allowing for personnel and equipment access. They must also be flexible enough to accommodate the beam under realistic operational conditions and fluctuations. The constraints on the system are highly restrictive, complicating the design. This document will describe the current state of the design, and indicate the work remaining for a complete conceptual design.

Benesch, Jay↗
DOE OSTI2022

Design of the 650 MHz High Beta Prototype Cryomodule for PIP-II at Fermilab

The Proton Improvement Plan II (PIP-II) is the first U.S. accelerator project that will have significant contributions from international partners. The prototype High Beta 650 MHz cryomodule (pHB650 CM) is designed by an integrated design team, consisting of Fermilab (USA), CEA (France), UKRI-STFC (UK), and RRCAT (India). The manufacturing & assembly of this prototype cryomodule will be done at Fermilab, whereas the production cryomodules will be manufactured and/or assembled by UKRI-STFC, RRCAT, or Fermilab. Similar to the prototype Single Spoke Resonator 1 cryomodule (pSSR1 CM), this cryomodule is based on a strong-back at room temperature supporting the coldmass. The pSSR1 CM led to significant lessons being learnt on the design, procurement, and assembly processes. These lessons were incorporated into the design and processes for the pHB650 CM. Amongst many challenges faced, the main challenges of the pHB650 CM design were to make the cryomodule compatible to overseas transportation and to design components that can be procured in USA, Europe, and India.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Safeguards by Design Projects (FY2020 Final Report)

This University Engagement project challenged engineering students at universities, that do not have Bachelor degrees in nuclear engineering but do have research reactors and some nuclear engineering coursework, to incorporate Safeguards by Design concepts into their Senior Capstone Design Project. This University Engagement project was part of the U. S. Department of Energy’s (DOE) National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation, Office of International Nuclear Safeguards, Next Generation Safeguards Initiative, Human Capital Development: University Engagement Program. This program exposed university students with Mechanical Engineering majors and Nuclear Engineering minors to the concepts of international nuclear safeguards. FY20, three teams at the University of Rhode Island and one team at the University of Texas - Austin participated in researching, designing, building, and testing projects to support international nuclear safeguards measurements or verification. The projects involved engaging in activities at the university’s research reactors. All the projects engaged students with prototyping a design and/or tool for application at the Universities’ reactor. At the end of the course, most of the students expressed the experience was a positive and they learned more about international nuclear safeguards and applying requirements than they had previously encountered. This school year the projects were further complicated by the COVID-19 pandemic. Both universities cancelled in class room classes, and limited direct student/professor interactions. Furthermore, Los Alamos National Laboratory (LANL) greatly restricted travel, therefore making it impossible to visit the students at the end of the semester for the review of their design projects. The final design and review meeting for the projects happened via the internet. Additionally, while the teams planned to build prototypes this did not happen since there was a social distancing ban on students meeting in person.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Grid-scale Energy Storage Hazard Analysis & Design Objectives for System Safety

Battery based energy storage systems are becoming a critical part of a modernized, resilient power system. However, batteries have a unique combination of hazards that can make design and engineering of battery systems difficult. This report presents a systematic hazard analysis of a hypothetical, grid scale lithium-ion battery powerplant to produce sociotechnical "design objectives" for system safety. We applied system's theoretic process analysis (STPA) for the hazard analysis which is broken into four steps: purpose definition, modeling the safety control structure, identifying unsafe control actions, and identifying loss scenarios. The purpose of the analysis was defined as to prevent event outcomes that can result in loss of battery assets due to fires and explosions, loss of health or life due to battery fires and explosions, and loss of energy storage services due to non- operational battery assets. The STPA analysis resulted in identification of six loss scenarios, and their constituent unsafe control actions, which were used to define a series of design objectives that can be applied to reduce the likelihood and severity of thermal events in battery systems. These design objectives, in all or any subset, can be utilized by utilities and other industry stakeholders as "design requirements" in their storage request for proposals (RFPs) and for evaluation of proposals. Further, these design objectives can help to protect firefighters and bring a system back to full functionality after a thermal event. We also comment on the hazards of flow battery technologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Using the Carbon Capture Simulation Initiative (CCSI) Tool to Design the Experiments in the Parametric Campaign of a Novel Compact Absorber for Carbon Capture

Gas absorption towers with structured packing and solvent have been used for Carbon Dioxide (CO 2 ) Capture for about many decades. To overcome process limitations and practical disadvantages for CO 2 capture from the stationary emitter (e.g. NG and coal power plant), many new designs have been proposed and explored at the various scales in the last decade with aim of either low energy penalty or low capital cost. To reduce the size of the absorption tower and hence the total cost of CO 2 capture, the University of Kentucky Center for Applied Energy Research Center (UK CAER) has designed and built a novel CO 2 capture absorption tower or Compact Absorber, integrated into an existing large-bench scale CO 2 capture unit. The Compact Absorber has three sections. The top of the column is a fogging section where the solvent is sprayed through a nozzle producing droplets flowing downward in a co-current fashion with the flue gas. The center of the column is a frothing section where the solvent and flue gas flow through regenerative frothing screens designed by Industrial Climate Solutions, Inc. The bottom of the column is a typical structured packing section were the flue gas and solvent flow in a counter-current fashion. The parametric campaign will be conducted in order to optimize the operating parameters for CO 2 capture including liquid/gas ratio, lean loading, and temperature, liquid residence time. A simulated flue gas with 14% CO 2 will be used along with a UK CAER developed proprietary solvent. The 100-hour parametric campaign is designed using a statistical approach of the Sequential Design of Experiments (sDOE). sDOE is one of the CCSI tools that provides an adaptive statistical approach for designing future experiments based on the results of previous experiments. Application of a typical DOE provides the user with the minimum number of experiments required to get the same data, but sDOE allows the user to make an informed choice of experiments based on the results of previous experiments. The complete absorption column has been constructed and has been partially commissioned. Initial data has been collected by operating using the fogging section and the frothing section. The fogging section produces solvent droplets of about 100 μm sauter mean diameter and as small as 25 μm using a hydraulic nozzle by BETE. The frothing section produces bubbles of about 5mm with high mixing of solvent promoting the higher mass transfer from gas to liquid. The absorber reaches the capture efficiency of about 50% with only two sections in operation. Based on the current results, it can be deduced that increasing the solvent feed temperature and including the packed section for absorption the capture efficiency will increase further. Initial data will be collected using all three sections of the absorber and will be used for sDOE. Non-Uniform Space Filling model of sDOE will be used to prioritize the input conditions resulting into maximum capture efficiency. sDOE is performed using the platform called Framework Optimization, Quantification of Uncertainty, and Surrogates (FOQUS). The method and results demonstrating the progress of the parametric campaign from the initial set of experiments to the final stage of obtaining optimized parameters using sDOE tool will be presented in detail.

20 FOSSIL-FUELED POWER PLANTS↗