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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Bulk reconstruction and non-isometry in the backwards-forwards holographic black hole map

The backwards-forwards map, introduced as a generalization of the non-isometric holographic maps of the black hole interior of Akers, Engelhardt, Harlow, Penington, and Vardhan to include non-trivial dynamics in the effective description, has two possible formulations differing in when the post-selection is performed. While these two forms are equivalent on the set of dynamically generated states — states formed from unitary time evolution acting on well-defined initial configurations of infalling matter — they differ on the generic set of states necessary to describe the apparent world of the infalling observer. We show that while both versions successfully reproduce the Page curve, the version involving post-selection as the final step, dubbed the backwards-forwards-post-selection (BFP) map, has the desirable properties of being non-isometric but isometric on average and providing state-dependent reconstruction of bulk operators, while the other version does not. Thus the BFP map is a suitable non-isometric code describing the black hole interior including interior interactions.

3-D Image Reconstruction↗
DOE OSTI2016

Analysis and quality control of carbohydrates in therapeutic proteins with fluorescence HPLC

Conbercept is an Fc fusion protein with very complicated carbohydrate profiles which must be carefully monitored through manufacturing process. Here, we introduce an optimized fluorescence derivatization high-performance liquid chromatographic method for glycan mapping in conbercept. Compared with conventional glycan analysis method, this method has much better resolution and higher reproducibility making it excellent for product quality control.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Local Lattice Deformation of Tellurene Grain Boundaries by Four-Dimensional Electron Microscopy

Two-dimensional (2D) tellurene is a promising competitor for the fabrication of ultrathin optoelectronic devices belonging to a new family of monoelemental 2D materials. Furthermore, the precise fabrication and characterization of tellurene and its lattice defects is of utmost importance to determine device reliability and predict functionality, yet it remains experimentally challenging. The rapid growth of the four-dimensional scanning transmission electron microscopy (4D-STEM) technique as well as postprocessing tools now allows for structural analysis with nanometer-scale resolution over a broad range of length scales. Here, we use 4D-STEM to reveal the three-dimensional (3D) atomic structure of the characteristic grain boundary in 2D tellurium formed through a new microwave-enabled chemical self-assembly. Strain and lattice parameter maps permit the reconstruction of the roughness of the grain boundary and suggest that its formation is promoted by a wedge of helical atomic chains along the [0001] crystallographic direction. The observation of wrinkles at the grain boundary is found to be the dominant relaxation mechanism. Insights into the formation mechanism are elucidated by mapping the lattice parameters as the first demonstration of local in-plane and out-of-plane unit cell variation in a nanometer-by-nanometer real-space array.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Molecular Design of Al(II) Intermediates for Small Molecule Activation

Promoting societally important small molecule activation processes with earth-abundant metals is foundational for a sustainable chemistry future. In this context, mapping new reaction pathways that would enable abundant main-group elements to mimic the behaviors of d- and f-block elements is facilitated by exploring unusual oxidation states. The most abundant metal on earth, aluminum, has been well studied in the Lewis acidic +III and Lewis basic +I oxidation states but rarely in the potentially biphilic +II oxidation state until recently, when a renaissance of Al(II) chemistry emerged from a range of research groups. In this Perspective, we review the chemistry of mononuclear Al radicals, including both Al-centered radicals (i.e., Al(II) compounds) and redox non-innocent systems (i.e., formally Al(II) species that are physically Al(III) with ligand-centered radicals), with an emphasis on small molecule reactivity. We also provide a meta-analysis of the Al(II) literature to summarize how different design strategies (e.g., redox non-innocence, strained coordination geometries) have been shown to impart biphilic character to Al radicals and tune their behavior, thus allowing Al radicals to mimic the chemistry of certain d- and f-block metal ions such as Ti(III) and Sm(II). We expect these molecular design concepts to inform future Al(II) studies as the chemistry of this unusual oxidation state of Al continues to grow.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Electron-hole correlation effects in core-level spectroscopy probed by the resonant inelastic soft x-ray scattering map of C{sub 60}

We have employed a unique spectroscopic approach, a resonant inelastic soft x-ray scattering (RIXS) map, to identify and separate electron-hole correlation effects in core-level spectroscopy. With this approach, we are able to derive a comprehensive picture of the electronic structure, separating ground state properties (such as the HOMO-LUMO separation) from excited state properties (such as the C 1s core-exciton binding energy of C{sub 60}). In particular, our approach allows us to determine the difference between core- and valence exciton binding energies in C{sub 60}[0.5 ({+-}0.2) eV]. Furthermore, the RIXS map gives detailed insight into the symmetries of the intermediate and final states of the RIXS process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Self-learning kinetic Monte Carlo simulations of Al diffusion in Mg

Atomistic on-lattice self-learning kinetic Monte Carlo (SLKMC) method was used to examine the vacancy-mediated diffusion of an Al atom in pure hcp Mg. Local atomic environment dependent activation barriers for vacancy-atom exchange processes were calculated on-the-fly using climbing image nudged-elastic band method (CI-NEB) and using a Mg-Al binary modified embedded-atom method (MEAM) interatomic potential. Diffusivities of vacancy and Al atom in pure Mg were obtained from SLKMC simulations and are compared with values available in the literature that are obtained from experiments and first-principle calculations. Al Diffusivities obtained from SLKMC simulations are lower, due to larger activation barriers and lower diffusivity prefactors, than those available in the literature but have same order of magnitude. We present all vacancy-Mg and vacancy-Al atom exchange processes and their activation barriers that were identified in SLKMC simulations. We will describe a simple mapping scheme to map a hcp lattice on to a simple cubic lattice that would enable hcp lattices to be simulated in an on-lattice KMC framework. We also present the pattern recognition scheme used in SLKMC simulations.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2015

SU-E-T-644: QuAArC: A 3D VMAT QA System Based On Radiochromic Film and Monte Carlo Simulation of Log Files

Purpose: VMAT involves two main sources of uncertainty: one related to the dose calculation accuracy, and the other linked to the continuous delivery of a discrete calculation. The purpose of this work is to present QuAArC, an alternative VMAT QA system to control and potentially reduce these uncertainties. Methods: An automated MC simulation of log files, recorded during VMAT treatment plans delivery, was implemented in order to simulate the actual treatment parameters. The linac head models and the phase-space data of each Control Point (CP) were simulated using the EGSnrc/BEAMnrc MC code, and the corresponding dose calculation was carried out by means of BEAMDOSE, a DOSXYZnrc code modification. A cylindrical phantom was specifically designed to host films rolled up at different radial distances from the isocenter, for a 3D and continuous dosimetric verification. It also allows axial and/or coronal films and point measurements with several types of ion chambers at different locations. Specific software was developed in MATLAB in order to process and evaluate the dosimetric measurements, which incorporates the analysis of dose distributions, profiles, dose difference maps, and 2D/3D gamma index. It is also possible to obtain the experimental DVH reconstructed on the patient CT, by an optimization method to find the individual contribution corresponding to each CP on the film, taking into account the total measured dose, and the corresponding CP dose calculated by MC. Results: The QuAArC system showed high reproducibility of measurements, and consistency with the results obtained with the commercial system implemented in the verification of the evaluated treatment plans. Conclusion: A VMAT QA system based on MC simulation and high resolution dosimetry with film has been developed for treatment verification. It shows to be useful for the study of the real VMAT capabilities, and also for linac commissioning and evaluation of other verification devices.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Inspection of plate weldments through an interposed layer of viscoelastic material using an elastic-electromagnetic scanning method

In this study, an elastic-microwave based non-destructive evaluation method is presented to inspect for cracks in weldments and thinning of coated steel plates. The approach uses a microwave interferometer operating at 94 GHz to record the total surface displacement of a coated steel plated as it is driven by an incident elastic field. These spatiotemporal data coupled with wavefield processing algorithms provide powerful detection and localization capabilities. From these wavefield data sets, a plate thickness mapping capability has been demonstrated that can detect thickness changes on the order of 0.79 mm (1/32 in.). It is also shown that a topological energy analysis of the wavefield data can detect and locate small flaws on the order of 5–10 mm (0.19–0.40 in.) in the welded joint. Note, all of these results are obtained through a 50.8 mm (2 in.) thick viscoelastic coating without disturbing the coating or the coating bond. At present the algorithm cannot resolve individual flaws within a grid space, just their cumulative effect. Even with the current limitations, this detection approach appears to be a promising alternative to traditional phased array imaging methods where the coating layer must be removed prior to inspection.

42 ENGINEERING↗
DOE OSTI2021

The Impact of Sintering Atmosphere and Temperature on the Phase Evolution of High Surface Area LSCF Prepared by In Situ Carbon Templating

The thermochemical stability of lanthanum strontium cobalt ferrite (LSCF) processed between 1000 °C–1200 °C via the in situ carbon templating method was studied. This method generates high surface area ceramics at traditional solid oxide fuel cell (SOFC) sintering temperatures by generating a carbon template in situ and subsequently removing the template by oxidation at 700 °C. Argon processed samples produced an amorphous carbon template, whereas nitrogen tended to form graphitic carbon. Prior to the oxidation step, nitrogen samples comprised larger La 2 O 3 crystallites (22–40 nm) compared to argon (9–17 nm). Upon oxidation, argon samples resulted in a pure LSCF phase with surface areas in the 21–29 m 2 ·g −1 range, whereas nitrogen samples contained significant impurities. This demonstrates that the size of La 2 O 3 crystallites formed during inert processing limited the ability to produce a pure LSCF phase. Symmetrical cells comprising nano-LSCF electrodes generated by the templating method were compared to cells sintered directly in air. Impedance results suggest that nano-LSCF cells and cells processed in air were dominated by interfacial charge transfer resistance and gas diffusion, respectively. The results map out conditions for preparing and integrating high surface area, nanostructured LSCF into SOFC electrodes at traditional sintering temperatures. Strategies for improving the interfacial resistance of nano-LSCF electrodes are discussed.

Muhoza, Sixbert P. (ORCID:0000000299864241)↗
DOE OSTI2025

Exploring Flood Predictability in Taiwan through Coupled Atmospheric–Hydrological and High-Performance Hydrodynamic Models

Effective flood simulation capabilities can tremendously support early warning and disaster prevention. To examine the applicability of a fully physics-based and high-performance flood simulation and forecasting modeling framework for a flood-prone region in Taiwan, we conduct a numerical experiment that couples the Weather Research and Forecasting (WRF) Model, WRF-Hydrological modeling system (WRF-Hydro), and the Two-Dimensional Runoff Inundation Toolkit for Operational Needs (TRITON) to perform integrated rainfall, streamflow, and flood simulations. Furthermore, we first use the coupled WRF and WRF-Hydro (WWH) to predict rainfall and streamflow and then drive TRITON with the predicted streamflow hydrographs to simulate flood depth and inundation area. With the refined spatial resolution and parameterization, this framework can better predict rainfall with reasonable spatial patterns. Although WWH could overestimate the amount of rainfall in some areas, the uncertain rainfall–streamflow predictions produce reasonable flood maps able to pinpoint regions at risk of flooding. In terms of model efficiency, the graphics processing unit–based computation can yield a speed-up factor as high as ∼13 compared to the central processing unit–based computation, promoting the efficacy of the coupled modeling framework in practical real-time flood forecasting.

Coupled models↗
DOE OSTI2017

Radiation Source Mapping with Bayesian Inverse Methods

In this work, we present a method to map the spectral and spatial distributions of radioactive sources using a limited number of detectors. Locating and identifying radioactive materials is important for border monitoring, in accounting for special nuclear material in processing facilities, and in cleanup operations following a radioactive material spill. Most methods to analyze these types of problems make restrictive assumptions about the distribution of the source. In contrast, the source mapping method presented here allows an arbitrary three-dimensional distribution in space and a gamma peak distribution in energy. To apply the method, the problem is cast as an inverse problem where the system’s geometry and material composition are known and fixed, while the radiation source distribution is sought. A probabilistic Bayesian approach is used to solve the resulting inverse problem since the system of equations is ill-posed. The posterior is maximized with a Newton optimization method. The probabilistic approach also provides estimates of the confidence in the final source map prediction. A set of adjoint, discrete ordinates flux solutions, obtained in this work by the Denovo code, is required to efficiently compute detector responses from a candidate source distribution. These adjoint fluxes form the linear mapping from the state space to the response space. The test of the method’s success is simultaneously locating a set of 137 Cs and 60 Co gamma sources in a room. This test problem is solved using experimental measurements that we collected for this purpose. Because of the weak sources available for use in the experiment, some of the expected photopeaks were not distinguishable from the Compton continuum. However, by supplanting 14 flawed measurements (out of a total of 69) with synthetic responses computed by MCNP, the proof-of-principle source mapping was successful. The locations of the sources were predicted within 25 cm for two of the sources and 90 cm for the third, in a room with an ~4-x 4-m floor plan. Finally, the predicted source intensities were within a factor of ten of their true value.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

Fallon FORGE: Seismic Reflection Profiles

Newly reprocessed Naval Air Station Fallon (1994) seismic lines: pre-stack depth migrations, with interpretations to support the Fallon FORGE (Phase 2B) 3D Geologic model. Data along seven profiles (>100 km of total profile length) through and adjacent to the Fallon site were re-processed. The most up-to-date, industry-tested seismic processing techniques were utilized to improve the signal strength and coherency in the sedimentary, volcanic, and Mesozoic crystalline basement sections, in conjunction with fault diffractions in order to improve the identification and definition of faults within the study area.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Energy-Community-Geo-Database

Fundamental to understanding evolving infrastructure and technology is understanding the drivers for energy communities that affect where and how infrastructure is placed and used. An Energy Community Geo Database aligned to carbon storage systems will aid stakeholders in decision making around key future infrastructure (e.g., CCS injection locations) placement while helping contextualize these analyses against past and present-day social and environmental attributes. Much of the data required to support analyses are available from authoritative, largely governmental sources, but at present are disparate and require time-consuming acquisition, integration, and upkeep for currency. The CCS-EC-GB v2.0 integrates datasets from various federal agencies and authoritative sources to aid stakeholders and decision makers of the social and environmental factors that might impact the viability of CCS and energy related project implementation. There are 5 categories in the CCS-EC-GB v2 database. Most of the layers within each category have been updated in this version. As compared to the old database, there is 1 new category in the CCS-EC-GB v2 database: infrastructure. This is an evolving project and application will be updated periodically with new datasets and information. Notes for consideration: This database/web map will be updated with additional as new data and information becomes available and has been processed, reviewed, and approved for release. Additional state and federal entity data are planned to be integrated and included in future revisions. Summary layers provided in this application are derived from proprietary layers and do not always contain key features (age, status, or TVD) and therefore might not be shown when data are queried for those features.

CCS,Carbon capture and storage,Carbon storage,U.S.↗
DOE OSTI2020

AMS / BARC Joint Survey (Summary Report)

Report describes a series of joint aerial radiation survey flights at various locations in Southern Nevada and Colorado performed by AMS and BARC (U.S. and India). The flights were conducted over areas of well-characterized natural background in Nevada, at the Large-Area Calibration Pads at Grand Junction, CO, and over real ground contamination at the Nevada National Security Site. The intention of the joint surveys was to compare the responses, processes, and procedures of each country’s aerial radiation detection system. These systems can detect and map ground contamination that may result from a nuclear or radiological accident or incident, and play a significant role in the national radiological emergency response capabilities of both countries.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2025

Success Path Method: Introduction to the Success Path Method Software Tool©

As part of its commitment to advancing safety and reliability assessment methodologies, Argonne National Laboratory pioneered the use of an evaluation method called the Success Path Method (SPM) to improve risk management for offshore oil and gas operations. The development of the SPM at Argonne has been driven by the need to improve existing risk assessment methodologies by focusing on the steps necessary for success rather than failure modes alone. This is particularly important for industrial environments like offshore facilities that perform multiple functions under a continuously evolving set of operational conditions – such as water depth and temperature, currents, and weather conditions. In these dynamic environments, the traditional Probabilistic Risk Assessment (PRA) approach is far too complex as it focuses on what can go wrong – which comprises an infinite failure space that must be fully explored and understood. By shifting the focus to a finite space of success paths, the SPM enables operators and decision makers to prioritize a manageable number of steps that must go right to ensure success. Building on its five decades of experience in safety assessments for the nuclear industry, Argonne made major adaptations to existing risk assessment methods utilizing features similar to fault trees that are traditionally used in PRA to map all pathways in which the system can malfunction. In contrast, SPM identifies the components and processes that must function correctly to achieve specific outcomes – such as preventing the uncontrolled release of hydrocarbons during drilling operations. The SPM framework integrates equipment, procedures, software, processes, and human actions to ensure that physical barriers meet critical safety functions in dynamic operational conditions. This approach helps identify failure modes and improve operational risk management by narrowing the focus to key success elements, which in turn reduces uncertainty and helps users understand, manage, and respond to failures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Stakeholder-guided holistic, Adaptive Framework for enhancing community Energy Resilience (SAFER) (Final Technical Report)

The Stakeholder-guided holistic, Adaptive Framework for enhancing community Energy Resilience (SAFER) project advances resilience science and engineering by addressing challenges in rural Kansas communities where aging infrastructure, extreme weather, and socioeconomic disparities heighten vulnerability to energy disruptions. Traditional approaches often focus on technical performance while overlooking community concerns and priorities. SAFER responds by integrating community perspectives with advanced analytical frameworks to create a holistic model for measuring and improving resilience. Project objectives included developing novel resilience metrics, advancing modeling frameworks that capture interdependencies across infrastructures, and embedding community-centric indicators directly into planning processes for distributed energy resources. The key technical innovations included the creation of self-organizing map (SOM)-based indices for objective resilience quantification, hetero-functional graph theory (HFGT) models linking power, water, transportation, and community assets, and graph neural network (GNN) tools for identifying critical nodes in complex systems. Community-centric energy planning was demonstrated through optimal siting and sizing of (photovoltaic) PV and battery storage, ensuring resilience enhancements also addressed energy burden and energy insecurity. SAFER engaged community partners in Dodge City and Ford County through surveys, focus groups, and workshops, generating more than 600 responses that established baseline measures of energy burden, financial insecurity, and willingness-to-pay to avoid outages. This data, organized in terms of a community capitals framework, informed the development of weighted reliability indices that better reflect community costs than traditional utility metrics. SAFER’s GNN-based critical node identification framework identified expert-labelled critical nodes with over 99% accuracy, while also uncovering additional functionalities essential for proactive resilience planning. The project’s models demonstrated that optimal PV and storage deployment could improve resilience indices by over 11 percent, with dispatch strategies further enhancing outcomes, confirming both the technical effectiveness and economic feasibility of these approaches. Through its combined emphasis on rigorous modeling, community-focused planning, and community engagement, SAFER advances the state of resilience research while delivering direct benefits to rural communities. The project provides tools, guidelines, and resilience heatmaps that help utilities, local governments, and residents better anticipate disruptions, prioritize investments, and strengthen the capacity to withstand and recover from energy-related hazards. Furthermore, the developed HFG and GNN frameworks are designed for transferability, allowing them to be adapted for resilience planning in other communities with minimal retraining. This inductive learning capability provides a scalable pathway to extend the SAFER project’s impact. Thus, creating a foundation for a nationally applicable model of infrastructure resilience. Additionally, the HFG can also be extended to include other FEMA community lifelines.

14 SOLAR ENERGY↗
DOE OSTI2023

Assessing carbon storage capacity and saturation across six central US grasslands using data–model integration

Abstract. Future global changes will impact carbon (C) fluxes and pools in most terrestrial ecosystems and the feedback of terrestrial carbon cycling to atmospheric CO2. Determining the vulnerability of C in ecosystems to future environmental change is thus vital for targeted land management and policy. The C capacity of an ecosystem is a function of its C inputs (e.g., net primary productivity – NPP) and how long C remains in the system before being respired back to the atmosphere. The proportion of C capacity currently stored by an ecosystem (i.e., its C saturation) provides information about the potential for long-term C pools to be altered by environmental and land management regimes. We estimated C capacity, C saturation, NPP, and ecosystem C residence time in six US grasslands spanning temperature and precipitation gradients by integrating high temporal resolution C pool and flux data with a process-based C model. As expected, NPP across grasslands was strongly correlated with mean annual precipitation (MAP), yet C residence time was not related to MAP or mean annual temperature (MAT). We link soil temperature, soil moisture, and inherent C turnover rates (potentially due to microbial function and tissue quality) as determinants of carbon residence time. Overall, we found that intermediates between extremes in moisture and temperature had low C saturation, indicating that C in these grasslands may trend upwards and be buffered against global change impacts. Hot and dry grasslands had greatest C saturation due to both small C inputs through NPP and high C turnover rates during soil moisture conditions favorable for microbial activity. Additionally, leaching of soil C during monsoon events may lead to C loss. C saturation was also high in tallgrass prairie due to frequent fire that reduced inputs of aboveground plant material. Accordingly, we suggest that both hot, dry ecosystems and those frequently disturbed should be subject to careful land management and policy decisions to prevent losses of C stored in these systems.

58 GEOSCIENCES↗