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DOE OSTI2024

Highly accelerated life testing (HALT): A review from a statistical perspective

Despite its use in one form or another for at least four decades, HALT and related techniques [e.g., highly accelerated-stress screening (HASS) and stress audits (HASA)] are not well understood within the statistical community and remain controversial. This largely reflects a conflict in motivation between engineers, testing under harsh conditions to discover and eliminate failure modes, and statisticians, taking a more cautious approach to develop quantitative estimates of parameters such as mean time between failures (MTBF). Here, this review article will clarify HALT concepts and methods and explain where it fits within the universe of methods that involve the application of accelerating factors to compress the time required to evaluate or enhance product reliability. A major distinction is between methods such as HALT, a high-stress test-analyze-fix-test iterative process directed at improving reliability by discovering and fixing weak points in a design, and quantitative accelerated life testing (QALT), whose goal is the estimation of product life for a fixed design. We discuss methods such as physics of failure that offer some hope of bridging the gap between the qualitative nature of HALT, and purely quantitative statistical methods. We present a variety of engineering applications of HALT including metal fatigue, piping and pressure vessels, structural damage, radiation damage, and rotating machinery. We also discuss potential synergies between HALT and QALT, such as rapid identification, through HALT, of failure modes requiring quantitative analysis. For further study, extensive references to the applicable literature are provided as well as an appendix that describes related methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Surface engineering with oxidized Ti 3 C 2 T x MXene enables efficient and stable p-i-n-structured CsPbI 3 perovskite solar cells

All-inorganic CsPbI 3 perovskite has a near-ideal band gap, high thermal stability, and simple material composition, thus presenting a promising option for developing perovskite/Si tandem solar cells. However, CsPbI 3 undergoes a rapid phase transition under exposure to moisture and exhibits a significant performance gap relative to other perovskite compounds, particularly in the p-i-n structure favored for perovskite/Si tandems. In this work, we demonstrate highly efficient and stable p-i-n-structured CsPbI 3 perovskite solar cells by surface engineering the CsPbI 3 layer with oxidized Ti 3 C 2 T x MXene (OMXene) nanoplates via spray coatings. OMXene provides a physical barrier against moisture and improves charge separation at the perovskite-electron transporting layer interface via an enhanced electric field. Consequently, we demonstrated CsPbI 3 /OMXene-based p-i-n devices with efficiencies of 19.69% for 0.096-cm 2 cells and 14.64% for 25-cm 2 minimodules. The encapsulated minimodule showed good stability, retaining ~85% of the initial efficiency under simultaneous damp heat (85°C/85% relative humidity) and 1-sun light soaking for over 1,000 h.

14 SOLAR ENERGY↗

DOE OSTI2023

6 th International Conference on Plant Synthetic Biology, Bioengineering and Biotechnology (Workshop Report)

The objective of the project is to hold a Conference to bring together scientists and engineers from universities, industry and government working in all aspects of plant synthetic biology, plant bioengineering and plant biotechnology. To meet this objective, AIChE will host the 6th International Conference on Plant Synthetic Biology, Bioengineering and Biotechnology on December 9-11, 2022 in Fort Lauderdale, Florida. The conference will feature five technical sessions: (1) Genome and Epigenome Editing, (2) Specialized Metabolism, (3) Engineering Plant Resilience, (4) Engineering more efficient plants, and (5) New tools and Technologies. The conference will allow leading scientists and engineers from universities, industry and government to discuss new tools and technologies being developed as well as their applications, and gaps in the field. The conference will allow students to learn about these new technologies, engage in a discussion with professionals in their field of interest, and showcase their work. The scope, theme, and aims of the Conference on Plant Synthetic Biology, Bioengineering, and Biotechnology fall squarely within the mission of DOE which includes securing US leadership in energy technology and to maintaining a vibrant US effort in science and engineering as a cornerstone for our economic prosperity.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Developing an Automated Microscopic Traffic Simulation Scenario Generation Tool

Traffic simulation is an effective tool for urban planners, traffic engineers, and researchers to study traffic. In particular, microscopic traffic simulation, which simulates individual vehicles’ movements within a transportation network, has demonstrated its importance in analyzing and managing transportation systems. However, integrating data from various sources, generating traffic scenarios, and importing information into traffic simulators to conduct microscopic simulations have always been a challenge. This paper presents a solution to overcome this challenge: RealTwin, a comprehensive tool for automated scenario generation for microscopic traffic simulation. Following a streamlined scenario generation and calibration workflow, RealTwin effectively bridges gaps between traffic data from various sources and traffic simulators, making microscopic traffic simulation more accessible for researchers and engineers across various levels of expertise. Using RealTwin to generate a real-world traffic scenario in Simulation of Urban Mobility (SUMO), VISSIM, and AIMSUN, RealTwin’s ability is demonstrated in the construction of realistic and consistent traffic scenarios in different simulators. Furthermore, this paper introduces and illustrates RealTwin’s capability for technology (e.g., autonomous vehicle) scenario generation. This feature can contribute to more comprehensive microscopic simulations, facilitating the analysis of potential effects of various technological innovations on mobility, energy efficiency, and safety. Finally, RealTwin is used to calibrate a simulation in SUMO. In conclusion, the calibration module enhances RealTwin’s ability to generate consistent simulations across different platforms and more realistic simulations that reflect real-world traffic operations.

autonomous vehicle↗

DOE OSTI2020

Band-edge Engineering to Eliminate Radiation-Induced Defect States in Perovskite Scintillators

Under radiative environments such as extended hard X- or γ-rays, degradation of scintillation performance is often due to irradiation-induced defects. To overcome the effect of deleterious defects, novel design mitigation strategies are needed to identify and design more resilient materials. The potential for band-edge engineering to eliminate the effect of radiation-induced defect states in rare-earth-doped perovskite scintillators is explored, taking Ce 3+ -doped LuAlO 3 as a model material system, using density functional theory (DFT)-based DFT + U and hybrid Heyd–Scuseria–Ernzerhof (HSE) calculations. Furthermore, from spin-polarized hybrid HSE calculations, the Ce 3+ activator ground-state 4f position is determined to be 2.81 eV above the valence band maximum in LuAlO 3 . Except for the oxygen vacancies which have a deep level inside the band gap, all other radiation-induced defects in LuAlO 3 have shallow defect states or are outside the band gap, that is, relatively far away from either the 5d 1 or the 4f Ce 3+ levels. Finally, we examine the role of Ga doping at the Al site and found that LuGaO 3 has a band gap that is more than 2 eV smaller than that of LuAlO 3 . Specifically, the lowered conduction band edge envelopes the defect gap states, eliminating their potential impact on scintillation performance and providing direct theoretical evidence for how band-edge engineering could be applied to rare-earth-doped perovskite scintillators.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Quasiparticle excitations in a one-dimensional interacting topological insulator: Application for dopant-based quantum simulation

Here, we study the effects of electron-electron interactions on the charge excitation spectrum of the spinful Su-Schrieffer-Heeger (SSH) model, a prototype of a one-dimensional bulk obstructed topological insulator. In view of recent progress in the fabrication of dopant-based quantum simulators we focus on experimentally detectable signatures of interacting topology in finite lattices. To this end we use Lanczos-based exact diagonalization to calculate the single-particle spectral function in real space which generalizes the local density of states to interacting systems. Its spatial and spectral resolution allows for the direct investigation and identification of edge states. By studying the noninteracting limit, we demonstrate that the topological in-gap states on the boundary are robust against both finite-size effects as well as random bond and onsite disorder which suggests the feasibility of simulating the SSH model in engineered dopant arrays in silicon. While edge excitations become zero-energy spinlike for any finite interaction strength, our analysis of the spectral function shows that the single-particle charge excitations are gapped out on the boundary. Despite the loss of topological protection, we find that these edge excitations are quasiparticlelike as long as they remain within the bulk gap. Above a critical interaction strength of U c ≈5t these quasiparticles on the boundary lose their coherence which is explained by the merging of edge and bulk states. This is in contrast to the many-body edge excitations which survive the limit of strong coupling, as established in the literature. Our findings show that for moderate repulsive interactions the nontrivial phase of the interacting SSH model can be detected through remnant signatures of topological single-particle states using single-particle local measurement techniques such as scanning tunneling spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Do Research Software Engineers and Software Engineering Researchers Speak the Same Language?

Anecdotal evidence suggests that research software engineers (RSEs) and software engineering researchers (SERs) often use different terminologies for similar concepts, creating communication challenges. To better understand these divergences, we have started investigating how software engineering fundamentals from the SER community are interpreted within the RSE community, identifying aligned concepts, knowledge gaps, and areas for potential adaptation. In conclusion, our preliminary findings reveal opportunities for mutual learning and collaboration, and our systematic methodology for terminology mapping provides a foundation for a crowdsourced extension and validation in the future.

Kehrer, Timo [Univ. of Bern (Switzerland)] (ORCID:↗

DOE OSTI2020

Design, Analysis, Comparison, and Experimental Validation of Insulated Metal Substrates for High-Power Wide-Bandgap Power Modules

Direct bonded copper (DBC) substrates used in power modules have limited heat spreading and manufacturing capability due to ceramic properties and manufacturing technology. The ceramic and copper bonding is also subject to high mechanical stress due to coefficient of thermal expansion mismatch between the copper and the ceramic. For wide-bandgap (WBG) devices, it is of interest exploring new substrate technologies that can overcome some of the challenges of direct bonded copper substrates. In this technical paper, the design, analysis, and comparison of insulated metal substrates (IMSs) for high-power wide-bandgap semiconductor-based power modules are discussed. This paper starts with technical description and discussion of state-of-the-art DBC substrates with different ceramic insulators such as aluminum nitride (AlN), Al 2 O 3 , and Si 3 N 4 . Next, an introduction of IMSs and their material properties, and a design approach for SiC (silicon carbide) metal-oxide-semiconductor field-effect transistor (MOSFET)-based power modules for high-power applications is provided. The influence of dielectric thickness on the power handling capability of the substrate are also discussed. The designed IMS and DBC substrates were characterized in terms of steady-state and transient thermal performance using finite element simulation. Finally, the performance of the IMS and DBC are validated in an experimental setup under different loading and cooling temperature conditions. We report the simulation and experimental results showed that the IMS can provide high steady-state thermal performance for high-power modules based on SiC MOSFETs. Furthermore, the IMS provided enhanced transient thermal performance, which provided a reduced junction temperature when the module is operated at low fundamental output frequencies in traction drive systems.

42 ENGINEERING↗

DOE OSTI2022

Conceptual Design of a Pumped Water Capsule for TREAT

This study performed mechanical design, thermal hydraulic, and fuel performance investigations to determine whether an existing large water capsule design could be modified to create forced convection boundary conditions on nuclear fuel specimens in the Transient Reactor Test facility. This concept was found to be viable and offers several advantages compared to a static water environment for a variety of transient power shape categories. The pumped capsule is not foreseen to be superior to a past concept for a larger water loop, but the pumped capsule approach is recommended for further engineering and deployment based on its high cost-to-value ratio primarily as a stop gap capability until a larger water loop can be realized.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

A Study of Integrated Signal and Power Transfer for Compact Isolated SiC MOSFET Gate-Drivers

This work discusses a novel set of alternate implementations of isolated gate driver circuits for power electronic transistors. The proposed topologies for the driver have been designed specifically for SiC power MOSFET. Three different solutions are discussed, all of them providing the required gate turn-on and turn-off command signal with galvanic isolation, but also supplying power to the secondary side of the driver by means of magnetic transformers. The resulting solutions, all of them implemented with simple circuitry, enable the integration of the driver into the power cell, allowing for theoretical higher power density values in the final system. The principle of operation of the different solutions is discussed, and then the main relevant implementation details are presented. After that, the operation of the circuits is demonstrated experimentally, by testing a set of prototypes of these drivers. This provides a comprehensive design example that assesses the feasibility of the proposed solutions. Finally, the main results of the performance of the three gate drivers, on an SiC MOSFET-based prototype are presented and compared.

42 ENGINEERING↗

DOE OSTI2026

Building Nuclear-Specific Cybersecurity Expertise in Higher Education

The rapid digitalization of nuclear power plants (NPPs) and the deployment of advanced and small modular reactors (A/SMRs) have expanded the cybersecurity attack surface within the nuclear sector. This evolution introduces unique challenges beyond those faced in general information technology (IT), operational technology (OT) and industrial control system (ICS) security, due to nuclear power’s regulatory rigor, safety-critical nature, and operational needs. A pressing workforce gap persists; cybersecurity graduates typically lack nuclear-specific context and retraining them for industry readiness requires 12–18 months, creating a significant burden. This paper addresses this gap by defining the domains of knowledge that nuclear cybersecurity specialists must master, spanning cybersecurity, nuclear engineering, OT/ICS security, and regulatory governance. We propose a curricular framework integrating technical, regulatory, and applied learning components to accelerate workforce readiness. Our approach builds on existing findings that current curricula inadequately integrate nuclear engineering and cybersecurity, shifting the discourse from why specialization is needed to what knowledge must be taught. The recommendations have implications for workforce development and long-term resilience of the nuclear energy sector.

99 - GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Fossil Power Plant Cyber Security Life-Cycle Risk Reduction: A Practical Framework for Implementation

Market conditions are forcing fossil electricity generation facility owners and operators to implement advanced digital technologies. These technologies enable efficiencies, operational flexibility, operations and maintenance efficiencies, and adapting to a transitioning workforce. These digital technologies, however, can increase the cybersecurity attack surface. The purpose of this research was to develop a holistic cybersecurity risk reduction framework for fossil generation facilities. The framework begins with assessing how cyber risk changes across facility life cycles, including plant, system, vendor, and business life cycles. The next phase performs consequence analysis to prioritize high consequence events. Focusing on high consequence events allows owners to use a graded, risk-informed approach to prioritize cybersecurity efforts. The final phase identifies the digital asset attack surface in sensors and instrumentation and control equipment. After the vulnerabilities are identified, the owner selects mitigating cybersecurity control measures (or countermeasures) based on the risk analysis from the previous phases. This report describes the current industry cybersecurity best practices in fossil generation that are based on the first principles for cybersecurity engineering. The report is divided into five sections that describe the implementation of the risk reduction framework and present identified research, methodological, and technology gaps that were identified through this course of research and development.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2020

Fossil Power Plant Cyber Security Life-Cycle Risk Reduction: A Practical Framework for Implementation

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2023

FY23 status report on the development of new ASME Section III, Division 5 Class B rules

This report summarizes the work done in Fiscal Year 2023 on the development of the new American Society of Mechanical Engineers Boiler and Pressure Vessel Code, Section III, Division 5, Class B rules to address the gaps identified for high temperature reactor designs. The summary of the design-by-analysis strain limit evaluation and creep-fatigue damage assessment is presented. The proposed design-by-analysis creep-fatigue damage calculation approach uses a new elastic follow-up-based Isochronous Stress Strain Curve stress relaxation procedure. This approach captures the elastic follow-up generated due to interactions of components with adjacent components, supports, and other connections in the power plant. A set of sample problems are selected to validate the proposed design-by-analysis rules for creep-fatigue damage assessment. The proposed Class B rules are evaluated against the Class A elastic design rules, and the experimental data obtained from a family of Simplified Model Test based key-feature test results. The proposed Class B creep-fatigue damage assessment methodology yields conservative design cycles estimates compared to the experimental results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

FY22 Laboratory Directed Research and Development Annual Report

The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites; 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in actives impacting national security; 3) Lead ST&E as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits; 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications; 5) Build a workforce for the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Turbulent burning velocity of lean premixed hydrogen/air flames at engine conditions: Effects of turbulence intensity and length scale

For turbulent lean premixed hydrogen flames with strong thermodiffusively instabilities, most previous studies have focused on the influence of turbulence intensity, whereas the role of turbulence length scale is less well understood. Here, this study addresses this gap by conducting direct numerical simulations (DNS) of statistically planar turbulent premixed flames for a lean (ϕ=0.35) hydrogen/air mixture under independently varied turbulence intensity (u') and length scale (l T ) at engine-relevant thermodynamics conditions. Results show that as u' increases, the flame front becomes increasingly wrinkled, forming smaller cellular structures. In contrast, l T variations do not significantly alter the size of these structures. For the turbulent burning velocity (S T ), the normalized S T (i.e., S T /S L , where S L is the laminar flame speed) increases linearly with u', driven by both enhanced flame surface wrinkling (i.e., increased A T /A L ) and enhanced local burning rate (i.e., increased I 0 ). However, increasing l T reduces I 0 , despite a continued increase in A T /A L , resulting in only a marginal increase in S T /S L . To reveal the underlying mechanisms, especially the decreasing trend of I 0 with l T , local flame dynamics analyses are performed. It is found that as l T increases, the interaction between thermodiffusive effects and turbulence weakens due to the reduced tangential strain rate, while the flame curvature remains largely unchanged. This suppresses local reactivity enhancement and thus decreases I 0 , In contrast, an increase in u' enhances the interaction by amplifying both curvature fluctuation and tangential strain rate, leading to increased local reactivity (increased I 0 ). Finally, based on the DNS data, several new scaling models are proposed for the three global properties, S T /S L , A T /A L , and I 0 , and showed improvements compared to existing models. These findings provide new insights into the flame-turbulence interactions in thermodiffusively unstable hydrogen flames. The DNS dataset is also useful for the development of turbulent combustion models applicable to practical engine simulations.

Engine-relevant condition↗

DOE OSTI2022

Optimization-based modeling and economic comparison of membrane distillation configurations for application in shale gas produced water treatment

Membrane distillation (MD) is an emerging membrane technology with great potential for treatment of hypersaline wastewater generated by unconventional (shale) oil and gas reservoirs. However, the low energy efficiency of this technology makes the operating cost of MD systems relatively high, especially in the absence of waste heat. There are several MD configurations with inherent advantages and disadvantages and varying performance. As such, there is a need for thermo-economic optimization of MD systems in a systematic manner to assess their economic performance. Here we present an optimization framework to model and compare the performance of six MD configurations (DCMD, AGMD, PGMD, CGMD, SGMD, and VMD) in continuous recirculation mode for treatment of hypersaline wastewater. The optimization results show that AGMD with small gap size operated at low stream Reynolds number outperforms all other configurations with treatment cost of 4.57 US $/m 3 of feed. However, restricting the system design to more practically relevant operating conditions, such as higher Reynolds number and larger gap size, diminishes the cost superiority of AGMD over other configurations. We also observed that treatment cost using PGMD configuration approaches those of CGMD and DCMD, particularly when modules with small gaps are used.

42 ENGINEERING↗

DOE OSTI2023

Dielectric screening at TMD:hBN interfaces: Monolayer-to-bulk transition, local-field effect, and spatial dependence

The dielectric effects of a substrate have been shown to be important for modulating the electronic properties of an adsorbate, especially in van der Waals heterostructures. Here, using the first-principles dielectric embedding GW approach within the framework of many-body perturbation theory, we perform a case study on the dielectric screening effects of hexagonal boron nitride (hBN) on various transition-metal dichalcogenides (TMDs). We consider three systems, monolayer MoS 2 , bilayer MoS 2 , and a mixed WS 2 /MoS 2 bilayer adsorbed on hBN, and examine three aspects of the substrate dielectric screening: (i) the thickness dependence and the monolayer-to-bulk transition, for which we consider the effects of one-, two-, three-, and four-layer hBN; (ii) the local-field effect, for which we numerically assess a common approximation of neglecting the in-plane local-field components of the substrate polarizability; and (iii) the spatial dependence, for which we consider the mixed WS 2 /MoS 2 bilayer adsorbed on hBN with either side facing the substrate. Finally, our results provide quantitative insight into how the substrate screening effects can be leveraged for band structure engineering.

36 MATERIALS SCIENCE↗