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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 19 records

Multidisciplinary concurrent optimization framework for multi-phase building design process

Modern day building design projects require multidisciplinary expertise from architects and engineers across various phases of the design (conceptual, preliminary, and detailed) and construction processes. The Architecture Engineering and Construction (AEC) community has recently shifted gears toward leveraging design optimization techniques to make well-informed decisions in the design of buildings. However, most of the building design optimization efforts are either multidisciplinary optimization confined to just a specific design phase (conceptual/preliminary/detailed) or single disciplinary optimization (structural/thermal/daylighting/energy) spanning across multiple phases. Complexity in changing the optimization setup as the design progresses through subsequent phases, interoperability issues between modeling and physics-based analysis tools used at later stages, and the lack of an appropriate level of design detail to get meaningful results from these sophisticated analysis tools are few challenges that limit multi-phase multidisciplinary design optimization (MDO) in the AEC field. Here this paper proposes a computational building design platform leveraging concurrent engineering techniques such as interactive problem structuring, simulation-based optimization using meta models for energy and daylighting (machine learning based) and tradespace visualization. The proposed multi-phase concurrent MDO framework is demonstrated by using it to design and optimize a sample office building for energy and daylighting objectives across multiple phases. Furthermore, limitations of the proposed framework and future avenues of research are listed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Accelerating Learning with Set-Based Concurrent Engineering

The traditional design approach for product development is to develop a design based on customer requirements and technical knowledge, build the product according to the detail requirements provided, and then test the product to validate that it works as intended. The team typically starts by identifying a single design approach and spends their time validating a single design during testing. Design teams often encounter issues in the course of development with performance, manufacturability, interfaces and more. To compensate for test failures, teams often build in time into the schedule for additional design loopbacks. Further, when the loopbacks lead to change, the late changes are costly and risky, causing the team to focuses on "fixing the bare minimum" to meet cost and schedule expectations.

42 ENGINEERING↗

Engineering Thermally Resilient and Kinetically Active Reversible Protonic Ceramic Cells via Interfacial Design

Achieving concurrent fast electrode kinetics and long-term thermo-mechanical durability remains a critical challenge for reversible protonic ceramic electrochemical cells (R-PCECs). Herein, we report an interfacial engineering strategy that integrates a perovs.kite-type PrBaRu0.1Co1.9O5+δ (PBRC) nanoparticle layer onto a PrBa0.5Sr0.5Co1.5Fe0.5O5+δ (PBSCF) substrate (PBRC-PBSCF), together with a modified pellet-assisted sintering approach to fabricate dense BaZr0.4Ce0.4Y0.1Yb0.1O3-δ (BZCYYb4411) electrolytes. The in situ reconstructed heterointerface enhances oxygen reduction/evolution reaction (ORR/OER) kinetics, promotes H2O adsorption/dissociation, and improves steam tolerance, as verified by electrochemical measurements and interfacial microstructural analyses. Density functional theory reveals that Ru-induced electronic modulation at the PBRC-PBSCF interface lowers the energy of oxygen vacancy formation and optimizes the position of the O 2p band center, thereby accelerating oxygen redox kinetics and stabilizing the interface. The resulting R-PCECs deliver an excellent peak power density of 1.112 W cm−2 and an electrolysis current density of −1.257 A cm−2 at 1.3 V in 3% H2O wet air at 600°C, with a reasonable faradaic efficiency. Furthermore, the cells demonstrate excellent stability, sustaining 100 h of thermal cycling (400–600°C, 200°C h−1) in both fuel cell and electrolysis modes, with 600 h of stability in electrolysis mode (600°C, −0.5 to −2 A cm−2).

30 DIRECT ENERGY CONVERSION↗

Sensitivity Analysis for the Component Design App: Analysis of Success Assured Data

A new tool has been developed to perform variance-based global sensitivity analysis (VBGSA) on data from a set-based concurrent engineering software called Success Assured (SA). The tool is part of a digital component design app, which is currently in production as an Accelerated Digital Engineering Pathfinder at Sandia National Laboratories. When working with complex digital models, it is important to understand relationships between inputs and outputs, i.e., how “sensitive” model outputs are to changes in model inputs. After extensive research and trials of various sensitivity analysis methods, it was determined that estimation of Sobol’ indices for VBGSA with Monte Carlo simulation, paired with simple surrogate models, produces the best results for SA data. This tool increases understanding of SA models and streamlines the creation of SA datasets. This report details the methodology and implementation of this sensitivity analysis tool so others can understand it and implement it.

97 MATHEMATICS AND COMPUTING↗

Genomic materials design: CALculation of PHAse Dynamics

The CALPHAD system of fundamental phase-level databases, now known as the Materials Genome, has enabled a mature technology of computational materials design and qualification that has already met the acceleration goals of the national Materials Genome Initiative. Here, as first commercialized by QuesTek Innovations, the methodology combines efficient genomic-level parametric design of new material composition and process specifications with multidisciplinary simulation-based forecasting of manufacturing variation, integrating efficient uncertainty management. Recent projects demonstrated under the multi-institutional CHiMaD Design Center notably include novel alloys designed specifically for additive manufacturing. With the proven success of the CALPHAD-based Materials Genome technology, current university research emphasizes new methodologies for affordable accelerated expansion of more accurate CALPHAD databases. Rapid adoption of these new capabilities by US apex corporations has compressed the materials design and development cycle to under 2 years, enabling a new “materials concurrency” integrated into a new level of concurrent engineering supporting an unprecedented level of manufacturing innovation.

36 MATERIALS SCIENCE↗

Special Considerations for the Removal and Disposal of Micro-Reactor Experiments

Idaho National Laboratory (INL) is preparing to host several microreactor experiments through 2030 and beyond. Two new test beds currently under development will operate as microreactor or nuclear system experiment user facilities. Test bed experiments will be performed in series, with each nuclear experiment installed, operated, and removed before installation of the subsequent experiment. The necessarily brief transition period between experiments introduces unique equipment removal and radioactive waste disposal challenges. This paper evaluates equipment removal and radioactive waste management topics associated with tight sequencing of nuclear experiments and presents some of the solutions and approaches currently planned to meet these special considerations for one such experiment, the Molten Chloride Reactor Experiment (MCRE), slated for operation at INL’s Laboratory for Operation and Testing in the United States (LOTUS). The MCRE project is a collaboration between Southern Company Services, TerraPower, and INL, among others, to provide integral nuclear data that will advance molten salt fast reactor technology. MCRE will be the first critical fast-spectrum circulating fuel system ever operated and the first experiment operated in the LOTUS test bed. The experiment will nominally operate at zero power with planned low power excursions as part of operational planning for MCRE has been to minimize at-power operations to limit fission product formation while still achieving experimental objectives. After the experiment is complete, MCRE will be allowed to radioactively decay for a short period (nominally 90 days) prior to system defueling, flushing, removal, and disposal of all MCRE equipment, readying the test bed for the next nuclear experiment. Equipment removal and radioactive waste disposal have been integral to MCRE project planning since the Cooperative Research and Development Agreement was formalized in 2021. Due to requirements for future use of the test bed, the MCRE system, of necessity, must be removed in a much shorter time frame than typical for historic reactor decommissioning projects at INL. This results in minimal time for radioactive decay, resulting in not only elevated radiation dose rates but also the presence of short-to-medium-lived isotopes not typically encountered in the reactor decommissioning and radioactive waste management space. Additional unique constraints placed on the project include lack of intrinsic remote-operations capabilities in the test bed, space constraints in the test bed once MCRE has been installed, and contamination minimization requirements to return the test bed to as-found conditions to enable future use. This paper discusses planned solutions to these challenges. Approaches for implementing remote or semi-remote technologies in a non-hot cell environment with limited space availability are discussed. The paper also summarizes the systems engineering approach for concept development and design of equipment removal systems, which are being implemented concurrent with the MCRE design phase, providing feedback to system designers to incorporate features enabling efficient and safe equipment removal approaches. The timing of this paper at a relatively early phase of the project is meant to highlight the importance of early planning for nuclear system decommissioning while reactor design is ongoing to allow design feedback on componentry driven from decommissioning system needs. As new, innovative nuclear reactor technologies enter the nuclear market sector, reactor experiments are crucial for providing new integral nuclear data that establish safe operational margins for technology advancement. Microreactor experiments at INL will require safe, effective, and timely decommissioning approaches, which in turn require nuclear systems designed to expedite decommissioning. In addition to the advancement of nuclear reactor technologies, these nuclear experiments provide an opportunity to demonstrate, deploy, and test new removal and disposal capabilities to support the next generation of nuclear reactor technology.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Light–matter coupling in large-area van der Waals superlattices

Two-dimensional (2D) crystals have renewed opportunities in design and assembly of artificial lattices without the constraints of epitaxy. However, the lack of thickness control in exfoliated van der Waals (vdW) layers prevents realization of repeat units with high fidelity. Recent availability of uniform, wafer-scale samples permits engineering of both electronic and optical dispersions in stacks of disparate 2D layers with multiple repeating units. In this study, we present optical dispersion engineering in a superlattice structure comprising alternating layers of 2D excitonic chalcogenides and dielectric insulators. By carefully designing the unit cell parameters, we demonstrate greater than 90% narrow band absorption in less than 4 nm of active layer excitonic absorber medium at room temperature, concurrently with enhanced photoluminescence in square-centimetre samples. These superlattices show evidence of strong light–matter coupling and exciton–polariton formation with geometry-tuneable coupling constants. Our results demonstrate proof of concept structures with engineered optical properties and pave the way for a broad class of scalable, designer optical metamaterials from atomically thin layers.

2D Crystals↗

Classic and Quantum Task-Based Intelligent Runtime for QIRs Running on Multiple QPUs

High-performance computing systems are rapidly evolving into heterogeneous platforms that fuse quantum accelerators with traditional classical processing units (CPUs) and graphical processing units (GPUs). This convergence calls for runtimes capable of managing both classical and quantum workloads in a unified manner. We introduce an intelligent, task-based runtime that marries the Intelligent RuntIme System (IRIS) asynchronous scheduler with a quantum programming stack through the Quantum Intermediate Representation Execution Engine (QIR-EE). Our design allows programs written in the quantum intermediate representation (QIR) to be dispatched concurrently to a variety of back-ends, including multiple quantum simulators and nascent quantum processors, enabling genuine hybrid execution on a single node. To illustrate its practicality, we partition a 4-qubit and 20-qubit circuit into three sub-circuits using quantum circuit cutting via the QCut library. Each sub-circuit is simulated independently by the QIR-EE driver within IRIS, after which a classical post-processing step merges the simulation results to recover the outcome of the original full-circuit computation. This case study demonstrates how finer task granularity can enable the parallel execution and lower the simulation burden per quantum task while preserving overall accuracy, highlighting the feasibility of our hybrid approach.

Miniskar, Narasinga Rao [ORNL] (ORCID:000000018259↗

JUSTIFI: Software for Improving Performance Objectives via Energy Efficiency

With growing energy supply concerns and rising costs, energy efficiency is a critical component of industrial energy resilience and competitiveness by directly reducing energy operating costs. Energy efficiency projects in manufacturing also yield valuable benefits to other key metrics, such as improved quality, reduced maintenance costs, improved safety, decreased pollution, and enhanced productivity. However, it is difficult to receive approval for energy efficiency projects, so implementation rates are low, even when meeting capital project payback period criteria. The inclusion and quantification of non-energy benefits (NEBs) in the decision-making process for energy efficiency projects can improve the overall financial payback period while demonstrating a positive impact on the firm's key performance metrics and business strategy. Despite their significant financial and strategic value, NEBs are rarely factored into decision-making due to lack of tools to effectively identify and quantify them. Therefore, a comprehensive and integrative approach is needed for the rapidly evolving energy landscape. To address these challenges, through funding from U.S. Department of Energy, our new assessment methodology integrates common continuous improvement six sigma concepts, such as the DMAIC process, and a protocol of guiding questions, into energy efficiency assessments to identify NEBs. We have also developed open-source software, JUSTIFI, to guide users through this process, data collection, and quantification. It is designed to be used concurrently with DOE energy system analysis software suite, MEASUR. Our methodology and tools inform energy assessors, firm engineering, decision makers, and workforce seeking to increase energy resilience and to maximize benefits aligned with performance metrics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

JUSTIFI: Software for Improving Performance Objectives via Energy Efficiency

With growing energy supply concerns and rising costs, energy efficiency is a critical component of industrial energy resilience and competitiveness by directly reducing energy operating costs. Energy efficiency projects in manufacturing also yield valuable benefits to other key metrics, such as improved quality, reduced maintenance costs, improved safety, decreased pollution, and enhanced productivity. However, it is difficult to receive approval for energy efficiency projects, so implementation rates are low, even when meeting capital project payback period criteria. The inclusion and quantification of non-energy benefits (NEBs) in the decision-making process for energy efficiency projects can improve the overall financial payback period while demonstrating a positive impact on the firm's key performance metrics and business strategy. Despite their significant financial and strategic value, NEBs are rarely factored into decision-making due to lack of tools to effectively identify and quantify them. Therefore, a comprehensive and integrative approach is needed for the rapidly evolving energy landscape. To address these challenges, through funding from U.S. Department of Energy, our new assessment methodology integrates common continuous improvement six sigma concepts, such as the DMAIC process, and a protocol of guiding questions, into energy efficiency assessments to identify NEBs. We have also developed open-source software, JUSTIFI, to guide users through this process, data collection, and quantification. It is designed to be used concurrently with DOE energy system analysis software suite, MEASUR. Our methodology and tools inform energy assessors, firm engineering, decision makers, and workforce seeking to increase energy resilience and to maximize benefits aligned with performance metrics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Exploiting ultra-large linear elasticity over a wide temperature range in nanocrystalline NiTi alloy

Many shape memory alloys can support large recoverable strains of a few percent by reversible stress-induced martensite transformation, yet they behave non-linear within a narrow operating temperature range. Developing the bulk metallic materials with ultra-large linear elasticity over a wide temperature range has proven to be difficult. In this work, a material design concept was proposed, that is true elastic deformation and reversible twinning-detwinning deformation run in parallel to overcome this challenge. By engineering the residual internal stress to realize the concurrency of true elastic deformation and twinning-detwinning deformation, a bulk nanocrystalline NiTi that possesses an ultra-large linear elastic strain up to 5.1 % and a high yield stress of 2.16 GPa over a wide temperature range of 270 °C was developed. This study offers a new avenue for developing the metallic materials with ultra-large linear elasticity over a wide temperature range of 270 °C (from 70 °C to -197 °C).

36 MATERIALS SCIENCE↗

A Computational Framework for Control Co-Design of Resilient Cyber–Physical Systems With Applications to Microgrids

Critical infrastructure networks, such as power and transportation networks, can be modelled as cyber-physical systems. As the complexity of such systems grow, there is need for developing metrics and design tools that will co-optimize the physical components of the system and the control policies to guarantee resilience against cyber and natural threats. To that end, we develop a simulation-based control co-design computational framework that will concurrently determine the system and control parameters of a cyber-physical system to meet pre-specified resilience, operational and economic objectives. Here, the capabilities of the developed co-design engine is demonstrated by designing the physical components and control parameters of a microgrid system that will meet its resiliency objectives when subjected to various cyber and physical threats.

97 MATHEMATICS AND COMPUTING↗

Scalable Control Co-design for Resilient-by-Design Cyber Physical Systems

Critical infrastructure networks, such as power and transportation networks, are often modelled as cyber-physical systems. With ever increasing complexity of these systems, there is a need for newer and more relevant metrics and design tools that will co-optimize the physical system components and control policies to guarantee resilience against cyber and natural threats. To this end, a simulation-based control co-design computational framework that will concurrently determine the system and control parameters of a cyber-physical system to meet pre-specified resilience, operational and economic objectives has been developed. The capabilities of the developed co-design engine are demonstrated by designing the physical components and control parameters of a microgrid system that will meet its resiliency objectives when subjected to various cyber and physical threats.

42 ENGINEERING↗

Multidisciplinary design optimization in Architecture, Engineering, and Construction: a detailed review and call for collaboration

The design of buildings has become a complex and multidisciplinary problem involving multiple conflicting objectives as architects and designers address competing technical, economic, environmental, and societal concerns. This has been driving research in Architecture, Engineering, and Construction (AEC) toward rigorous multidisciplinary decision-making frameworks that generate and evaluate numerous design alternatives using multi-objective optimization in concert with simulation and analysis models of varying fidelity and computational expense. While such frameworks are well known and widely employed in the aerospace and systems engineering domains, efforts by design professionals and researchers in the AEC field are scattered at best. In this paper, we provide a detailed review of recent developments in optimization frameworks in the AEC field and subsequently highlight how such developments are largely compartmentalized into separate domains such as structural, energy, daylighting, and other performance factors. Herein, we further discuss the technical challenges involved in concurrent coupled multidisciplinary design optimization (MDO) in the AEC field such as interoperability issues between Building Information Modeling (BIM) environments, analysis/simulation tools, and optimization frameworks. We conclude by outlining research needed for more unified modeling and simulation-based optimization frameworks to aid in complex and multidisciplinary building design processes. We also highlight the need for the identification and development of multi-fidelity simulation tools for use across multiple design phases. As such, this paper contributes a novel roadmap to leverage aerospace and systems engineering research in MDO into the field of AEC, along with a call for researchers in the MDO community to seek collaborations in AEC field.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Solvation-guided inhibition of manganese dissolution of lithium- and manganese- rich cathode via cyclic carbonate molecular engineering

Lithium and manganese-rich (LMR) layered oxides represent a leading class of high-energy cathode materials, but their practical realization is fundamentally limited by severe manganese (Mn) dissolution, a process that triggers structural degradation and rapid capacity fade. While mitigation efforts have predominantly focused on interfacial engineering, the intrinsic contribution of bulk electrolyte solvation to this degradation pathway remains largely unexplored, primarily due to the difficulty of deconvolving its effects from concurrent cathode-electrolyte interphase (CEI) formation. Here, we report an experimental design to isolate the role of solvation. We systematically varied the electrolyte solvent solvation power by substituting the strongly coordinating ethylene carbonate (EC) with its weaker coordinating fluorinated derivatives, fluoroethylene carbonate (FEC) and trans-4,5-Difluoro-1,3-dioxolan-2-one (DFEC), while maintaining a consistent interfacial chemistry. Remarkably, the electrolyte formulated with the weakest solvent, DFEC, exhibits superior cycling stability, suppressing Mn dissolution by up to 63% relative to the conventional EC-based system. Post-mortem analysis unequivocally attributes this performance enhancement to the preservation of the LMR cathode's structural integrity, a direct consequence of mitigated Mn dissolution. This work provides conclusive evidence that modulating bulk electrolyte solvation is a potent and direct strategy for stabilizing LMR cathodes, establishing a vital design principle for next-generation battery systems.

25 ENERGY STORAGE↗