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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Development of National New Construction Weighting Factors for the Commercial Building Prototype Analyses (2008-2022)

The U.S. Department of Energy (DOE) tasked Pacific Northwest National Laboratory (PNNL) with updating commercial building construction weights for the purpose of estimating national and state-by-state energy savings impacts of changes made to various commercial energy codes and standards. A similar activity was last completed by PNNL in 2020 using disaggregate construction volume data acquired from the Dodge Data & Analytics database (formerly McGraw Hill) for the years 2003-2018 (Lei et al, 2020). As time passes, changes in economic and social demand reshape construction volume trends. For the current update, PNNL reviewed the same data source with the latest construction data for the years 2008-2022. For commercial building analyses, PNNL typically uses a suite of 16 prototype buildings simulated in the 19 ASHRAE climate zones with 16 of them present in the United States. The 2008-2022 commercial building weighting factors were derived using the same approach employed to develop the 2003-2018 set (Lei et al, 2020). Applying the construction volume data from the database to the prototypes and climate zones resulted in the following new construction area-based weighting factors. Table ES.1 shows the weighting factors including all building categories found in the database, and Table ES.2 shows the weighting factors normalized to include only buildings represented by the 16 prototypes. Section 3.0 also includes national- and state-level weighting factors by area and building count.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

A review of collaborative studies between the NSTX/-U and MAST/-U spherical tokamaks

The National Spherical Torus Experiment (NSTX) at the Princeton Plasma Physics Laboratory in the United States, and the mega ampere spherical tokamak (MAST) at the United Kingdom Atomic Energy Authority in the United Kingdom, and their respective upgrades (NSTX-U and MAST-U) are two MAST fusion devices that have operated roughly over the past two decades. Both devices have made significant contributions to understanding spherical tokamak (ST) plasma physics, and fusion plasmas in general, and both have contributed data to multi-machine database studies. Several diagnostics have been physically moved from one machine to the other by diagnostic teams working on both devices. Collaboration has benefited both research teams in the areas of operational expertise, scenario development, and equilibrium reconstruction techniques. More focused comparative studies between the two devices have been pursued over the years in many areas as well, including stability calculations, disruption characterization, pedestal and edge localized mode stability, confinement and transport, energetic particles, and heating and current drive modelling. Together NSTX/-U and MAST/-U set the stage for the future of STs, which is entering the phase of design of demonstration power plant devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Understanding Synthesis and Structural Variation of Nanomaterials Through In Situ/Operando XAS and SAXS

Nanostructured materials with high surface area and low coordinated atoms present distinct intrinsic properties from their bulk counterparts. However, nanomaterials' nucleation/growth mechanism during the synthesis process and the changes of the nanomaterials in the working state are still not thoroughly studied. As two indispensable methods, X-ray absorption spectroscopy (XAS) provides nanomaterials' electronic structure and coordination environment, while small-angle X-ray scattering (SAXS) offers structural properties and morphology information. Here, a combination of in situ/operando XAS and SAXS provides high temporal and spatial resolution to monitor the evolution of nanomaterials. This review gives a brief introduction to in situ/operando SAXS/XAS cells. In addition, the application of in situ/operando XAS and SAXS in preparing nanomaterials and studying changes of working nanomaterials are summarized.

25 ENERGY STORAGE↗
DOE OSTI2022

Critical Enzyme Reactions in Aromatic Catabolism for Microbial Lignin Conversion

The application of microbes to valorize aromatic compounds derived from the abundant plant biopolymer lignin is a rapidly developing area of research that may ultimately enable viable conversion of this recalcitrant and heterogeneous resource to valuable bio-based chemical products. Starting from the three canonical lignin building blocks, which differ in the extent of aromatic ring methoxylation, several common classes of enzymatic reaction occur in the upper pathways of aromatic catabolism to prepare aromatic compounds for assimilation into central carbon metabolism, including aromatic O-demethylation, hydroxylation and decarboxylation. These critical enzymatic steps can often be rate-limiting for efficient biological funnelling of aromatic compounds. Here we review the known enzymatic mechanisms for these reactions that are relevant for aerobic aromatic catabolism of lignin-related monomers, highlighting opportunities at the intersection of biochemistry, enzyme engineering and metabolic engineering for applications in the expanding field of microbial lignin valorization.

aromatic catabolism↗
DOE OSTI2021

Root responses to warming and hurricane disturbances in a wet tropical forest of Puerto Rico: R code and data

The purpose of this data was to generate a scientific article that describes the responses of tropical roots to a warming experiment and to the effect of two consecutive hurricanes in Puerto Rico (Yaffar et al. in review). This data is from 10 months of minirhizotron images taken every 2 weeks at the experimental warming Tropical Responses to Altered Climate Experiment (TRACE) plots in Puerto Rico before and after Hurricanes Irma and Maria. This project has 3 warmed plots (plot 2,4,6) and 3 control plots (plot 1,3,5) with 2 minirhizotron tubes at each plot. As part of the data, there is also root data taken from cores and in-growth cores. Additionally, there is soil nutrient concentration data, soil microclimate, total leaf area, and canopy openness taken by Reed et al. 2020, and the TRACE census. Data files are in CSV format and the R code included in this package can be used with R 3.4.4 (R Core Team and contributors worldwide).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Modular Growth and Nucleation Formulations in Modular Plasticity Models

Recent investigations like the second and third Sandia Fracture Challenges have characterized and demonstrated the performance of a variety of failure techniques and models. These surveys have considered a wide breadth of models encapsulating both general failure criteria as well as those focusing on pore nucleation and growth. Extensive reviews exist on both topics. The former category generally consists of classic models like the Johnson-Cook or Wilkins criteria. These models were recently added to modular plasticity models in the Library of Advanced Materials for Engineering (LAME) as criteria for use with element death capabilities. The latter category was not treated in that effort. There exists a large class of failure models based on predicting the evolution of pores and failure associated with such microstructures. While the exact mechanisms and corresponding impact on the macroscale behavior remain an active area of research, a large suite of formulations have been proposed combining different features of both pore nucleation and subsequent growth. The most famous of these are based on the popular Gurson model of pore growth derived via micromechanical analysis assuming a plastically incompressible matrix. Numerous other models exist for both growth and nucleation and the Cocks-Ashby growth and Horstemeyer-Gokhale nucleation models have been used successfully in recent Sandia Fracture Challenges. This specific combination is colloquially referred to as the "BCJ-failure model as it has been frequently used with the Bammann-Chisea-Johnson plasticity model.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Wave Energy Converter Design Process: Methods Applied in Industry and Shortcomings of Current Practices

Wave energy is among the many renewable energy technologies being researched and developed to address the increasing demand for low-emissions energy. The unique design challenges for wave energy converter design—integrating complex and uncertain technological, economic, and ecological systems, overcoming the structural challenges of ocean deployment, and dealing with complex system dynamics—have lead to a disjointed progression of research and development. There is no common design practice across the wave energy industry and there is no published synthesis of the practices that are used by developers. In this paper, we summarize the methods being employed in WEC design as well as promising methods that have yet to be applied. We contextualize these methods within an overarching design process. We present results from a survey of WEC developers to identify methods that are common in industry. From the review and survey results, we conclude that the most common methods of WEC design are iterative methods in which design parameters are defined, evaluated, and then changed based on evaluation results. This leaves a significant space for improvement of methods that help designers make better-informed decisions prior to sophisticated evaluation, and methods of using the evaluation results to make better design decisions during iteration. Despite the popularity of optimization methods in academic research, they are less common in industry development. We end this paper with a summary of the areas of WEC design in which the testing and development of new methods is necessary, and where more research is required to fully understand the influence of design decisions on WEC performance.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Modular CO 2 Capture Processes for Integration with Modular Scale Gasification Technologies: Literature Review and Gap Analysis for Future R&D

The motivation for this report is the recent focus of the U.S. Department of Energy’s (DOE) gasification program to develop modular scale gasification processes for electricity generation and other applications. Mass-produced, modular gasification systems have been proposed to decrease the upfront capital costs and to encourage flexible deployment of advanced gasification technology using a diverse set of feedstocks. To fully realize the benefits of advanced gasification technology for power generation as well as other chemical applications, precombustion carbon dioxide (CO 2 ) capture must be considered. Therefore, the aim of this report is to assess the potential of integrating modular scale carbon capture processes with modular scale coal gasification technologies, and to help guide future research and development efforts in this area.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Ab Initio Direct Dynamics

The reactivity and dynamics of molecular systems can be explored computationally by classical trajectory calculations. The traditional approach involves fitting a functional form of a potential energy surface (PES) to the energies from a large number of electronic structure calculations and then integrating numerous trajectories on this fitted PES to model the molecular dynamics. The ever-decreasing cost of computing and continuing advances in computational chemistry software have made it possible to use electronic structure calculations directly in molecular dynamics simulations without first having to construct a fitted PES. In this “on-the-fly” approach, every time the energy and its derivatives are needed for the integration of the equations of motion, they are obtained directly from quantum chemical calculations. This approach started to become practical in the mid-1990s as a result of increased availability of inexpensive computer resources and improved computational chemistry software. The application of direct dynamics calculations has grown rapidly over the last 25 years and would require a lengthy review article. The present Account is limited to some of our contributions to methods development and various applications. To improve the efficiency of direct dynamics calculations, we developed a Hessian-based predictor-corrector algorithm for integrating classical trajectories. Hessian updating made this even more efficient. Furthermore, this approach was also used to improve algorithms for following the steepest descent reaction paths. For larger molecular systems, we developed an extended Lagrangian approach in which the electronic structure is propagated along with the molecular structure. Strong field chemistry is a rapidly growing area, and to improve the accuracy of molecular dynamics in intense laser fields, we included the time-varying electric field in a novel predictor-corrector trajectory integration algorithm. Since intense laser fields can excite and ionize molecules, we extended our studies to include electron dynamics. Specifically, we developed code for time-dependent configuration interaction electron dynamics to simulate strong field ionization by intense laser pulses. Our initial application of ab initio direct dynamics in 1994 was to CH 2 O → H 2 + CO; the calculated vibrational distributions in the products were in very good agreement with experiment. In the intervening years, we have used direct dynamics to explore energy partitioning in various dissociation reactions, unimolecular dissociations yielding three fragments, reactions with branching after the transition state, nonstatistical dynamics of chemically activated molecules, dynamics of molecular fragmentation by intense infrared laser pulses, selective activation of specific dissociation channels by aligned intense infrared laser fields, angular dependence of strong field ionization, and simulation of sequential double ionization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Review on Perovskite Solar Cells: From Single‐Junction Devices to Tandem Deployment in Space

Perovskite solar cells (PSCs) have emerged as a transformative photovoltaic technology, offering high power conversion efficiency (PCE) and the potential for cost-effective manufacturing. However, stability and large-scale manufacturing remain critical challenges that must be addressed for widespread adoption. This review provides a roadmap from single-junction perovskite solar cells to tandem deployment in space. First, material-level innovations are discussed, including mixed-cation and low-dimensional perovskites, transport materials, and additives that improve thermal and structural stability while enhancing efficiency. Then, we examine both established industrial standards and emerging scientific protocols aimed at stabilizing PSCs under operational conditions, including tandem cell integration strategies and encapsulation techniques to mitigate performance degradation. Manufacturing scalability is a focal point, where deposition methods and green solvents are explored to improve large-area film uniformity and reduce environmental impact. Additionally, the increasing viability of PSCs in extraterrestrial environments is assessed, with emphasis on their performance in space applications, radiation resistance, and flexible lamination methods for deployment in extreme conditions. Progress across materials innovation, device architectures, stability testing protocols, and both terrestrial and extraterrestrial applications collectively drives perovskite photovoltaics toward higher efficiency, stability, and cost-effectiveness.

flexible PSCs↗
DOE OSTI2020

An ultra-compact x-ray free-electron laser

In the field of beam physics, two frontier topics have taken center stage due to their potential to enable new approaches to discovery in a wide swath of science. These areas are: advanced, high gradient acceleration techniques, and x-ray free electron lasers (XFELs). Further, there is intense interest in the marriage of these two fields, with the goal of producing a very compact XFEL. In this context, recent advances in high gradient radio-frequency cryogenic copper structure research have opened the door to the use of surface electric fields between 250 and 500 MV m -1 . Such an approach is foreseen to enable a new generation of photoinjectors with six-dimensional beam brightness beyond the current state-of-the-art by well over an order of magnitude. This advance is an essential ingredient enabling an ultra-compact XFEL (UC-XFEL). In addition, one may accelerate these bright beams to GeV scale in less than 10 m. Such an injector, when combined with inverse free electron laser-based bunching techniques can produce multi-kA beams with unprecedented beam quality, quantified by 50 nm-rad normalized emittances. The emittance, we note, is the effective area in transverse phase space (x, p x /m e c) or (y, p y /m e c) occupied by the beam distribution, and it is relevant to achievable beam sizes as well as setting a limit on FEL wavelength. These beams, when injected into innovative, short-period (1–10 mm) undulators uniquely enable UC-XFELs having footprints consistent with university-scale laboratories. We describe the architecture and predicted performance of this novel light source, which promises photon production per pulse of a few percent of existing XFEL sources. We review implementation issues including collective beam effects, compact x-ray optics systems, and other relevant technical challenges. To illustrate the potential of such a light source to fundamentally change the current paradigm of XFELs with their limited access, we examine possible applications in biology, chemistry, materials, atomic physics, industry, and medicine—including the imaging of virus particles—which may profit from this new model of performing XFEL science.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Application Deconfliction Characterization and Alternatives Analysis

This report provides an overview of the domain space and solution techniques that could be used to create a robust, flexible app deconfliction service. Three approaches are reviewed with summaries of the characteristics, elements, and results from preliminary demonstrations of solution techniques based on each approach: 1) rules and heuristics, 2) cooperation, and 3) optimization. The strengths and weaknesses of each solution technique were explored through a set of numerical demonstrations on modified IEEE 123 node and 9500 node test feeders. An alternatives analysis of individual deconfliction elements was performed with each solution technique element evaluated against criteria reflecting the dynamic app environment, need to balance app objectives, and scalability issues versus the number of applications, setpoints, and distributed control areas. It is anticipated that a combined solution for a GridAPPS-D Deconfliction Service can be formulated using a combination of elements from each solution technique. The combined solution would combine 1) device control budgets to reduce the size of the solution space by constraining system setpoints to those will not result in accelerated degradation of physical assets, 2) system operations rules to constrain the solution space by eliminating setpoints that result in violations of system limits or operational best practices, 3) contextual status signals shared with or among apps such that they could update their desired setpoints based on the evolving context, 4) a mediator that incentivizes apps to come to a cooperative solution, and 5) Setpoint-informed optimization as a fallback mechanism if a cooperative solution cannot be agreed upon by applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Editorial: Functionalization of porous materials for sustainable energy applications

Global energy demands are shifting toward a more sustainable future, with the goal of achieving carbon neutrality by 2050. Emerging technologies are driving this transition. The industry, academia, government, non-profit organizations, and the broader community are collaboratively working to reduce greenhouse gas (GHG) emissions and address climate change to ensure a sustainable future. According to the International Energy Agency, in 2022, the production, transportation, and processing of oil and gas resulted in 5.1 billion tons of CO 2 -equivalent emissions, representing nearly 15% of all energy-related GHG emissions. Moreover, the end-use of oil and gas accounted for an additional 40% of emissions. The IEA’s Net Zero Emissions by 2050 Scenario calls for immediate, collective action from the industry, transportation and other stakeholders to mitigate these emissions. In this effort, the development of energy materials will play a critical role in reducing emissions. Among these, porous materials offer an innovative solution, leveraging their high surface area, adjustable pore sizes, and chemical versatility to address these pressing challenges effectively. By carefully designing their nanostructures, the architecture and properties of these materials can be tailored for specific applications. Key factors such as chemical composition, particle size, pore distribution, and surface area optimization enhance the reactivity and energy conversion efficiency. Additionally, pre- and post-functionalization processes can introduce targeted chemical properties, further improving their performance. This Research Topic explores recent advancements in energy and materials science through four scholarly papers, showcasing innovative solutions for sustainable energy technologies while providing valuable insights into the unique properties and structure of porous materials (Figure 1). Li et al. present their work on highly defective NiFeV layered triple hydroxides, highlighting enhanced electrocatalytic activity and stability for oxygen evolution reactions (OER). Kovalskii et al. contribute a mini-review on hydrogen storage using hexagonal boron nitride (h-BN) and BN-based materials, offering an insightful overview of these promising materials. Chava et al. discuss their recent achievements in ceramic electrolytes used for improvement of performance of solid-state batteries. Lastly, Li et al. review the properties of porous materials with a focus on shrinkage behavior during the drying process, shedding light on key considerations for material design.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The Trajectory of Additively Manufactured Titanium Alloys with Superior Mechanical Properties and Engineered Microstructures

Additive manufacturing (AM) plays a crucial role in the manufacturing and development of advanced materials including titanium alloys for engineering applications. During the last two decades, a great deal of effort has been devoted to print titanium parts with desired properties. However, due to presence of non-equilibrium/metastable phases, anisotropic microstructure, and various porosities in the printed titanium alloys, achieving an excellent combination of mechanical properties has been challenging. Here this review paper aims to provide a comprehensive overview of multiple post-process and in-process approaches to achieve enhanced strength-ductility combinations by microstructure engineering. Approaches such as addition of alloying elements/nucleants, multi-step post heat treatment, in-situ heat treatment, forced inter-pass cooling, in situ peening/rolling, hybridizing microstructure, high-intensity acoustic vibration, thermo-hydrogen refinement of microstructure, deliberately introducing lack of fusion defects with subsequent hot isostatic pressing are discussed in detail. Finally, we conclude by highlighting the challenges associated with each method and potential areas of improvement that can pave the way to develop reliable components with enhanced performance.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Advanced data analysis in inertial confinement fusion and high energy density physics

Bayesian analysis enables flexible and rigorous definition of statistical model assumptions with well-characterized propagation of uncertainties and resulting inferences for single-shot, repeated, or even cross-platform data. This approach has a strong history of application to a variety of problems in physical sciences ranging from inference of particle mass from multi-source high-energy particle data to analysis of black-hole characteristics from gravitational wave observations. The recent adoption of Bayesian statistics for analysis and design of high-energy density physics (HEDP) and inertial confinement fusion (ICF) experiments has provided invaluable gains in expert understanding and experiment performance. In this Review, we discuss the basic theory and practical application of the Bayesian statistics framework. We highlight a variety of studies from the HEDP and ICF literature, demonstrating the power of this technique. Due to the computational complexity of multi-physics models needed to analyze HEDP and ICF experiments, Bayesian inference is often not computationally tractable. Two sections are devoted to a review of statistical approximations, efficient inference algorithms, and data-driven methods, such as deep-learning and dimensionality reduction, which play a significant role in enabling use of the Bayesian framework. We provide additional discussion of various applications of Bayesian and machine learning methods that appear to be sparse in the HEDP and ICF literature constituting possible next steps for the community. We conclude by highlighting community needs, the resolution of which will improve trust in data-driven methods that have proven critical for accelerating the design and discovery cycle in many application areas.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Recommendations for harmonized reporting of radiation Dosimetry by adoption of Compatibility in Irradiation Research Protocols Expert Roundtable (CIRPER)

Here, in radiobiology, radiation physics, and related areas, there is growing interest in transitioning from cesium-based irradiators to X-ray technologies. Therefore, it makes it imperative for reproducibility purposes, for researchers to provide specifications regarding device parameters, machine calibration details, and experimental setup when innovative X-ray technology is being employed. Several groups have already identified a glaring lack in completeness of critical information on experimental setups, equipment, and physical parameters in published radiation biology studies. The Alternative Technologies Meta Study Report by Brookhaven National Laboratory (BNL) examined 456 manuscripts published between 2017-2021. Only 64 of the reviewed studies (14.0%) consistently reported methods that could allow for replication of their studies. However, 85% provided information on the manufacturer, the irradiator model and the absorbed radiation dose. Approximately 66% provided information on the energy spectra and the dose rate, but only one third disclosed the filter used. Less than 15% of the reviewed studies reported information on calibration and field geometry, specifically field size and distance from source, which are critical parameters in determining the absorbed radiation dose.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Municipal Solid Waste Incineration Ash-Incorporated Concrete: One Step towards Environmental Justice

Municipal solid waste and cement manufacture are two sources of environmental justice issues in urban and suburban areas. Waste utilization is an attractive alternative to disposal for eliminating environmental injustice, reducing potential hazards, and improving urban sustainability. The re-use and recycling of municipal solid waste incineration (MSWI) ash in the construction industry has drawn significant attention. Incorporating MSWI ash in cement and concrete production is a potential path that mitigates the environmental justice issues in waste management and the construction industry. This paper presents a critical overview of the pretreatment methods that optimize MSWI ash utilization in cement/concrete and the influences of MSWI ash on the performance of cement/concrete. This review aims to elucidate the potential advantages and limitations associated with the use of MSWI ash for producing cement clinker, alternative binder (e.g., alkali-activated material), cement substitutes, and aggregates. A brief overview of the generation and characteristics of MSWI ash is reported, accompanied by identifying opportunities for the use of MSWI ash-incorporated products in industrial-scale applications and recognizing associated environmental justice implications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Nuclear diagnostics for Inertial Confinement Fusion (ICF) plasmas

The field of nuclear diagnostics for Inertial Confinement Fusion (ICF) is broadly reviewed from its beginning in the seventies to present day. During this time, the sophistication of the ICF facilities and the suite of nuclear diagnostics have substantially evolved, generally a consequence of the efforts and experience gained on previous facilities. As the fusion yields have increased several orders of magnitude during these years, the quality of the nuclear-fusion-product measurements has improved significantly, facilitating an increased level of understanding about the physics governing the nuclear phase of an ICF implosion. The field of ICF has now entered an era where the fusion yields are high enough for nuclear measurements to provide spatial, temporal and spectral information, which have proven indispensable to understanding the performance of an ICF implosion. At the same time, the requirements on the nuclear diagnostics have also become more stringent. To put these measurements into context, this review starts by providing some historical remarks about the field of ICF and the role of nuclear diagnostics, followed by a brief overview of the basic physics that characterize the nuclear phase and performance of an ICF implosion. A technical discussion is subsequently presented of the neutron, gamma-ray, charged-particle and radiochemistry diagnostics that are, or have been, routinely used in the field of ICF. This discussion is followed by an elaboration of the current view of the next-generation nuclear diagnostics. Since the seventies, the overall progress made in the areas of nuclear diagnostics and scientific understanding of an ICF implosion has been enormous, and with the implementation of new high-fusion-yield facilities world-wide, the next-generation nuclear diagnostics will play an even more important role for decades to come.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗