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At least 1,153 records · Page 64

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DOE OSTI2025

Artificial Intelligence and Digital Engineering as Enablers for System Engineering in the Energy Sector

Systems engineering is of utmost importance for the success of high-cost, high-complexity megaprojects, which are common in the energy sector. However, the traditional document-centric systems engineering approach tends to be labor-intensive and time-consuming, which has inhibited its full adoption despite proven metrics on its return on investment. However, with the modern approach of digital engineering and technological advancements in artificial intelligence (AI) technologies, the barriers to systems engineering adoption can finally be broken. This paper goes through the systems engineering V-model for lifecycle management and assesses the current state of implementation of digital engineering (especially, mod-el-based systems engineering, digital twins, and digital threads) and AI for each step. It was observed that a combination of digital engineering and AI is being used across different industries to accelerate and optimize systems engineering processes such as concept development, requirements management, architecture definition, system development, verification and validation, operations, and maintenance. Specifically in the energy sector, AI-augmented digital engineering has shown initial potential in accelerated development and deployment, performance optimization, anomaly detection, predictive maintenance, and configuration management. However, challenges remain in integrating DE and AI into an end-to-end system lifecycle management ecosystem safely and reliably. Addressing these challenges and continuously developing impactful tools will enable fast, efficient, and high-frequency deployment of power generation capabilities to keep up with the world’s energy demands and build energy security.

42 - ENGINEERING↗

DOE OSTI2025

Artificial Intelligence and Digital Engineering as Enablers for Systems Engineering in the Energy Sector

42 - ENGINEERING↗

DOE OSTI2023

Exploration of Fuel Property Impacts on the Combustion of Late Post Injections Using Binary Blends and High-Reactivity Ether Bioblendstocks

In this study, the impacts of fuel volatility and reactivity on combustion stability and emissions were studied in a light-duty single-cylinder research engine for a three-injection catalyst heating operation strategy with late post-injections. Here, N-heptane and blends of farnesane/2,2,4,4,6,8,8-heptamethylnonane were used to study the impacts of volatility and reactivity. The effect of increased chemical reactivity was also analysed by comparing the baseline #2 diesel operation with a pure blend of mono-ether components (CN > 100) representative of potential high cetane oxygenated bioblendstocks and a 25 vol.% blend of the mono-ether blend and #2 diesel with a cetane number (CN) of 55. At constant reactivity, little to no variation in combustion performance was observed due to differences in volatility, whereas increased reactivity improved combustion stability and efficiency at late injection timings. Fuels with higher reactivity were found to reduce engine-out hydrocarbon and carbon monoxide emissions while also achieving stable combustion at post-injection timings later than those achievable with #2 diesel fuel. The pure ether blend had the latest achievable post-injection timing of +30.5 CAD while still maintaining stable combustion (coefficient of variation of gross-indicated mean effective pressure < 5%). With post-injection timing adjusted to achieve a matched exhaust temperature of 300 °C, the ether-diesel CN 55 blend was observed to have slightly higher thermal efficiency in comparison to the baseline #2 diesel fuel. The results also indicate that cetane number may serve as a good indicator of combustion characteristics at late injection timings used for aftertreatment thermal management operation.

09 BIOMASS FUELS↗

DOE OSTI2022

Need for research and training reactors for advanced reactor designs

Full text of publication follows. Research and training reactors have served a valuable role in helping train workforce for currently operating fleet of light water reactors. These research and training reactors have been used in reactor laboratory classes to familiarize the students with such vital concepts as approach to criticality, reactor period, neutron moderation, reactivity, flux distribution and leakage, etc. As the industry moves toward advanced non-light-water reactor designs, it is critical that research and training reactors be developed and deployed at university campuses to help train the new generation of nuclear and non-nuclear engineers who are likely to design, build, and operate these advanced reactors. Among the designs currently being pursued for nuclear power generation include molten salt, sodium cooled, and gas cooled designs, with options for various fuel forms. Thus, industry and DOE in collaboration with academic institutions should devise plans on how to familiarize the next generation of nuclear workforce with hands-on experience necessary for such designs. These research and training reactors will play a vital role in familiarizing the future workforce with hands-on experience with concepts associated with fast spectrum reactors, gas cooled reactors, and other features not associated with light water reactors. In addition to classical nuclear engineering concepts, these advanced research and training reactors can also be used for hands-on training as well as for research on features being considered in the design of GEN-IV reactors: cyber security for digital control room operations, hybrid energy system, hydrogen generation, district heating, autonomous control... (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

A Systems Engineering Approach to Accident Response Planning.

This paper explores the Systems Engineering structure, strategies and tools for real world scenarios involving work with accident response planning. A systems engineering approach must be taken by the technical teams to prepare for a successful response and design the technical systems in support of the operations. The scope of this project is focused on laying out the foundation of the systems engineering approach taken to help the teams develop an accident response strategy and identify new engineering designs in support of these operations for the black box systems. This Masters project involved several interdisciplinary teams & stakeholders. Identifying the proper tools to use was key to addressing the big picture needs of the multiple stakeholders. The integrated project work primarily took place over the course of eight weeks via integrated team meetings. Other work in support of this project was conducted off-line as needed by the project lead. Details on the prospective timeline, milestones, key dates and work scope can be referenced in this paper. Key systems engineering methodologies and tools used in support of this project included but is not limited to: Market Surveys and Interviews Project Charter Feasibility Study Swim Lane Diagram Knowledge Management Plan. A full suite of tools and the details regarding the application of these tools and results of this study is provided in this report.

42 ENGINEERING↗

DOE OSTI2026

Powder‐to‐Film Conversion of Nickel Single‐Atom Catalysts into Binder‐Free and Resistant Electrodes

Although a few binder-free and self-supported single-atom electrodes have been reported, achieving mechanically robust, defect-engineered, and reproducible films that preserve atomic dispersion under electrochemical operation remains challenging. This work addresses this limitation by presenting a versatile and generalizable strategy to transform powders into standalone, defect-engineered thin films hosting atomically dispersed Ni centers within conductive 2D frameworks. The physicochemical and electronic properties of these materials are thoroughly characterized using a comprehensive set of spectroscopic and microscopic techniques and confirmed the homogeneous dispersion and monoatomic nature of the Ni centers (0.94 wt.%) on the electrode films. Electrochemical testing via cyclic voltammetry and electrochemical impedance spectroscopy under a range of experimental conditions revealed that integration of Ni single atoms markedly enhanced performance and stability compared to carbon nanotube-only electrodes, maintaining integrity after 15 h of continuous operation. This improvement is accompanied by a notable reduction in charge transfer resistance (30.50 Ω) and an increase in double-layer capacitance (295.45 µF). Post-electrochemical analyses corroborated the structural integrity and robustness of the electrodes. Overall, this work bridges atomically precise catalysis and device-level electrochemistry, opening a route toward reproducible and scalable single-atom electrodes for sensing and energy conversion.

36 MATERIALS SCIENCE↗

DOE OSTI2020

A Systems Engineering Approach to Accident Response Planning

This paper explores the Systems Engineering structure, strategies and tools for real world scenarios involving work with accident response groups. A systems engineering approach must be taken by the technical teams to prepare for a successful response and design the technical systems in support of the operations. The scope of this project is focused on laying out the foundation of the systems engineering approach taken to help the teams develop an accident response strategy and identify new engineering designs in support of these operations for the black box systems. This Master’s project involves several interdisciplinary teams & stakeholders across different areas. Identifying the proper tools to use is key to addressing the big picture needs of the multiple stakeholders. This project explores some of the key tools used by the integrated team. The integrated project work will primarily take place over the course of 8 weeks via integrated team meetings. Other work in support of this project will take place off-line as needed by the project lead. Details on the prospective timeline, milestones, key dates and work scope can be referenced in other sections of this paper. Key systems engineering methodologies and tools used thus far in support of this project includes: 1) Market Surveys and Interviews, 2) Project Charter, 3) Feasibility Study, 4) Swim Lane Diagram, and 5) Knowledge Management Plan.

42 ENGINEERING↗

DOE OSTI2023

Environmental Protection Coating System for Refractory Metal Alloys (EPCS for RMAs)

As part of ARPA-E’s Ultra High Temperature Impervious Materials Advancing Turbine Efficiency (UITIMATE) program, this project aims to develop an environmental protection coating system (EPCS) for refractory metal alloys (RMAs) – which will provide radical improvement in long term protection for ultra-high temperature refractory metal components in harsh gas-turbine environments. The drive for higher fuel efficiency and higher core power of gas turbines used in electric power generation and in aircraft propulsion requires higher peak operation temperatures. The temperature capability of state-of-the-art materials cannot meet the new requirements. Refractory metal alloys have desirable capabilities for achieving the required peak temperatures, but most of them are subject to oxidation in the gas turbine environment. Thus, there is a strong need to develop novel environmental protective coatings that enable the refractory metals to operate in an ultra-high temperature engine environment. This project is composed of four major technical innovations that can provide a potentially transformational solution in providing environmental protection for refractory metal alloys over a wide range of temperature. 1) Multi-layer self-healing environmental barrier coating (EBC) that provides protection against combustion gas environment. 2) Oxidation resistant diffusion barrier (DB) on the alloy surface to enhance coating stability. 3) Synergistic integration of the multi-layer self-healing EBC with the diffusion barrier to extend coating life. 4) Guidance of physics-based modeling to accelerate coating development and optimization. Our team has successfully developed a multi-layer self-healing environmental protection coating system (EPCS) that can provide oxidation protection for commercially available molybdenum based refractory metal alloys over a wide temperature range of up to 1600 °C for fuel-efficient gas turbine applications. The team also developed a multi-layer high temperature coating design tool to accelerate coating development and optimization based on physics-based modeling. The team also engaged RTX business unite, notable Pratt and Whitney, for future commercialization of this technology. The successful completion of this Phase I effort led to the selection of performing Phase II of the program. In Phase II, the team plans to apply the EPCS in the protection of a newly discovered molybdenum-based metal alloy which has the potential of superior high temperature properties to the commercial products. Th coating will be evaluated under test conditions and environment that mimic gas turbine operation.

36 MATERIALS SCIENCE↗

DOE OSTI2024

In-cylinder spray evolution in a motored central-injection gasoline engine: Imaging and simulating the effects of flash-boiling and intake crossflow

Accurate predictions of fuel spray behavior and mixture formation in simulations of direct-injection spark-ignition (DISI) engines are fundamental to ensure proper description of all subsequent processes including ignition, combustion, and emissions. In this work, the spray evolution in a single-cylinder optical DISI engine was studied experimentally and numerically with the goal of enabling predictive computational fluid dynamics (CFD) modeling of in-cylinder sprays. The authors explored a wide range of operating conditions characterized by several fuel injection temperatures and engine speeds, using a well-characterized nine-component gasoline surrogate known as PACE-20. The effect of flash boiling and intake crossflow on the spray is discussed, with a focus on evaluating the ability of the spray models to capture highly transient spray behavior. In the experiments, the fuel temperature was varied between 20°C and 80°C, allowing for non-flash- to flash-boiling transition to emerge with enhanced flashing intensity at the highest temperatures. Spray collapse resulted in vapor-rich regions, owing to the locally lower inertia of the fluid. Varying the engine speed from 650 to 1950 rpm promoted increasingly more turbulent in-cylinder crossflow which interacted with the spray during the injection event and resulted in enhanced spray dispersion. The CFD model was able to capture the spray morphology transition at different fuel temperatures and engine speeds adequately. Further, it is shown that the spray breakup model could capture the transitional spray behavior induced by flash boiling atomization and intake flow via proper initialization of the spray cone angle and calibration of the spray models’ constants.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

A physics-informed operator regression framework for extracting data-driven continuum models

The application of deep learning toward discovery of data-driven models requires careful application of inductive biases to obtain a description of physics which is both accurate and robust. We present here a framework for discovering continuum models from high fidelity molecular simulation data. Our approach applies a neural network parameterization of governing physics in modal space, allowing a characterization of differential operators while providing structure which may be used to impose biases related to symmetry, isotropy, and conservation form. Here, we demonstrate the effectiveness of our framework for a variety of physics, including local and nonlocal diffusion processes and single and multiphase flows. For the flow physics we demonstrate this approach leads to a learned operator that generalizes to system characteristics not included in the training sets, such as variable particle sizes, densities, and concentration.

42 ENGINEERING↗

DOE OSTI2021

Edge localized mode characteristics and divertor heat flux during stationary and transient phase for CFETR hybrid scenario

The study of edge localized mode (ELM) behavior, stationary heat flux and transient heat flux during the ELM crash phase is performed for a China Fusion Engineering Test Reactor (CFETR) 1 GW hybrid mode operation scenario ($R$ = 7.2 m, ${B_{\text{T}}}$ = 6.5 T, ${I_{\text{p}}}$ = 13.78 MA). Modeling and simulation start with a scenario obtained by multi-code integrated modeling on the one modeling framework for integrated tasks framework. Linear stability and nonlinear simulations of ELM dynamics are carried out using the BOUT++ six-field reduced magnetohydrodynamic module, which show a much smaller ELM energy loss (Δ ELM ~ 0.13%) compared to that of a Type-I ELM. Parametric analysis of the weak linear growth rate and small ELM energy loss characteristics shed light on physics corresponding to a grassy ELM regime for CFETR 1 GW hybrid scenario. The transient heat flux on the divertor target during this small ELM phase is investigated using BOUT++. Here we found that upstream radial transport in the scrape-off-layer (SOL) induced by small ELMs is weak, which keeps it in the drift-dominated region. However, the heat flux width is still broadened to ${\lambda _{\text{q}}}$ = 4.64 mm by the increase of separatrix temperature during ELM nonlinear evolution. The impact of transient peak heat load and ELM energy fluence on tungsten melting and net erosion rate of divertor target is evaluated for the first-time using physics-based transport that connects the pedestal with the SOL. Energy fluence caused by a single ELM pulse is below the tungsten melting limit, while tungsten erosion would exceed the material requirements. We conclude that external mitigation methods, such as divertor detachment and advanced divertor geometry are likely needed for the steady state operation of CFETR.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Regulation of Cathode Mass and Charge Transfer by Structural 3D Engineering for Protonic Ceramic Fuel Cell at 400 °C

Abstract Lowering the operating temperature (ideally below 400 °C) for solid oxide fuel cell (SOFC) technology deployment has been an important transition that introduces the benefit of reduced operational costs and system durability. However, the key technical issue limiting the transition is the sluggish cathodic performance, namely the oxygen reduction reaction (ORR) rate of the conventional sponge‐like cathode dramatically drops as the temperature reduces. In this paper, 3D engineering of a cathode is conducted on a protonic ceramic fuel cell to obtain an enhanced ORR between 400 and 600 °C. Compared with a cell using a conventional sponge‐like cathode, 3D engineering improves the cathode ORR by 41% at 400 °C with a peak power density of 0.410 W cm −2 . A phase field simulation is applied to assist the engineering by understanding the competition between the cathode mass and charge transfer with different cathode porosities. The results show that structural engineering of existing well‐developed cathodes is a simple and effective method to promote cathode ORR for low temperature SOFC by regulating the mass and charge transfer.

Bian, Wenjuan↗

DOE OSTI2022

Anode Catalysts in Anion-Exchange-Membrane Electrolysis without Supporting Electrolyte: Conductivity, Dynamics, and Ionomer Degradation

Not provided.

Chemistry↗

DOE OSTI2022

Future-proofing photovoltaics module reliability through a unifying predictive modeling framework

Solar energy, especially photovoltaics (PV), plays a significant role in the global energy transition required for decarbonization. Technological advancements in increasing efficiencies coupled with cost reductions through economies of scale made PV a cost-competitive energy source set to exceed the milestone of 1 TW globally deployed capacity in 2022. However, ongoing downward price pressure coupled with increasing service life expectations creates tremendous challenges for reliability engineers in ensuring the safe and reliable operation of PV modules and systems over the anticipated service life. Today's reliability research efforts aim for module lifetimes of up to 50 years. Still, our current tools fall short in accurately assessing degradation mechanisms and failure modes over such extended periods. We argue that the well-established PV reliability learning cycle needs to be accelerated to keep up with the rapid technological advancements and high expectations that are put on PV and its role in the global energy transition. In this article, we explore the evolution of the PV reliability learning cycle and highlight the significance that predictive modeling capabilities will have on future PV module reliability. We propose creating a unifying modeling framework - which once established will enable the holistic assessment of PV module reliability, accelerate the PV reliability learning cycle, and bring us closer to quantitative service life predictions of PV modules.

14 SOLAR ENERGY↗

DOE OSTI2024

Enhanced Radiation Damage Tolerance of Amorphous Interphase and Grain Boundary Complexions in Cu-Ta

Amorphous interfacial complexions are particularly resistant to radiation damage and have been primarily studied in alloys with good glass-forming ability, yet recent reports suggest that these features can form even in immiscible alloys such as Cu-Ta under irradiation. In this work, the mechanisms of damage production and annihilation due to primary knock-on atom collisions are investigated for amorphous interphase and grain boundaries in a Cu-Ta alloy using atomistic simulations. Amorphous complexions, in particular amorphous interphase complexions that separate Cu and Ta grains, result in less residual defect damage than their ordered counterparts. Stemming from the nanophase chemical separation in this alloy, the amorphous complexions exhibit a highly heterogeneous distribution of atomic excess volume, as compared to a good glass former like Cu-Zr. Complexion thickness, a tunable structural descriptor, plays a vital role in damage resistance. Thicker interfacial films are more damage-tolerant because they alter the defect production rate due to differences in intrinsic displacement threshold energies during the collision cascade. Overall, the findings of this work highlight the importance of interfacial engineering in enhancing the properties of materials operating in radiation-prone environments and the promise of amorphous complexions as particularly radiation damage-tolerant microstructural features.

36 MATERIALS SCIENCE↗

DOE OSTI2021

MHD flow in liquid metal blankets: Major design issues, MHD guidelines and numerical analysis

The design of breeding blankets represents the major challenge for fusion reactor engineering because of performance requirements and severe operating conditions in terms of heat load and neutron flux. Liquid metal alloys such as lead-lithium, due to their lithium content, can be used to breed tritium, one of the plasma fuel components, and owing to their high thermal conductivity, they may serve as coolants. On the other hand, there are technical issues related to the fact that the liquid metals are electrically conducting and interact with the plasma-confining magnetic field. Induced electric currents and generated electromagnetic forces affect velocity and pressure distribution in the blankets. Magnetohydrodynamic (MHD) flows for fusion applications have been often investigated in simplified geometries, such as pipes, ducts, bends, with focus on their fundamental features. These analyses are essential, since results remain valid as background for the development of blanket designs, even when a concept is dismissed. However, the conceptual study of fusion blankets requires to take into account the global multiple effects, that arise when the full system is considered. Progress made in fusion-related MHD research results from combined numerical and experimental activities. In this paper we review and summarize features of 2D and 3D MHD flows that are typical in liquid metal blankets, together with available correlations for MHD pressure losses. This knowledge can provide simple design MHD guidelines that support a preliminary estimate of MHD effects in a blanket concept, in terms of pressure drop and flow distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Optimizing structured surfaces for diffractive waveguides

We introduce universal diffractive waveguide designs that can match the performance of conventional dielectric waveguides and achieve various functionalities. Optimized using deep learning, diffractive waveguides can be cascaded to form any desired length and are comprised of transmissive diffractive surfaces that permit the propagation of desired modes with low loss and high mode purity. In addition to guiding the targeted modes through cascaded diffractive units, we also developed various waveguide components and introduced bent diffractive waveguides, rotating the direction of mode propagation, as well as spatial and spectral mode filtering and mode splitting diffractive waveguide designs, and mode-specific polarization control. This framework was experimentally validated in the terahertz spectrum to selectively pass certain spatial modes while rejecting others. Without the need for material dispersion engineering diffractive waveguides can be scaled to operate at different wavelengths, including visible and infrared spectrum, covering potential applications in, e.g., telecommunications, imaging, sensing and spectroscopy.

Applied optics↗

DOE OSTI2020

High frequency lithium niobate film-thickness-mode optomechanical resonator

High-frequency optomechanical resonators are in demand as transduction devices to bridge microwave and optical fields. Thin-film lithium niobate is a promising platform for implementing high-frequency optomechanics for its low optical loss and strong piezoelectric coefficients. However, its strong piezoelectricity is also known to introduce excess phonon loss. Here, we present lithium niobate optomechanical resonators with film-thickness-mode mechanical resonances up to 5.2 GHz, reaching the operating frequency regime of superconducting qubits. By engineering the mechanical anchor to minimize the phonon loss, we achieve a high quality factor up to 12 500 at cryogenic temperatures and, hence, a frequency-quality factor product of 6.6 × 10 13 . Our system also features interference between piezo-optomechanical and electro-optic modulation. A theoretical model is derived to analyze these two effects and their interference.

42 ENGINEERING↗