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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A new database of building-space-specific internal loads and load schedules for performance based code compliance modeling of commercial buildings

Building-level loads and load profiles prescribed by current modeling rules save modelers time and avoid gaming during whole building performance modeling. However, recent studies show that they sometimes insufficiently capture the entire building performance due to the varied loads and load profiles for different space types. As a solution to this issue, this paper develops a database of building-space-specific loads and load profiles used in code compliance modeling. The existing sets of loads and load profiles are reviewed and the challenges behind using them for specific research topics are discussed. Then, the proposed method to develop the building-space-specific loads and load profiles is introduced. After that, the database for these building-space-specific loads and load profiles is presented. In addition, one case is studied to demonstrate the applications of these loads and load profiles. In this case study, three methods are used to develop building energy models: space-specific (using knowledge of the distribution and location of space types and applying the space-specific data in the developed database), building-level (assuming a lack of knowledge of the space types and using the building-level data in the developed database), and calculated-ratio (assuming knowledge of the distribution of space types but not their locations and calculating weighted average values based on the space-specific data in the developed database). Finally, the energy results simulated by using these three methods are compared, which show building-level methods can produce energy results up to 20% different than the space-specific methods. Finally, this paper discusses the application scope and maintenance of this new database.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Two diverse models of embedding class one

Highlights: •The embedding of curved spacetime in higher-dimensional flat spacetime is discussed. •The focus is on two diverse models of embedding class one. •The first model is a complete wormhole solution including the junction conditions. •The second is a new model to explain the flat galactic rotation curves without the need for dark matter. -- Abstract: Embedding theorems have continued to be a topic of interest in the general theory of relativity since these help connect the classical theory to higher-dimensional manifolds. This paper deals with spacetimes of embedding class one, i.e., spacetimes that can be embedded in a five-dimensional flat spacetime. These ideas are applied to two diverse models, a complete solution for a charged wormhole admitting a one-parameter group of conformal motions and a new model to explain the flat rotation curves in spiral galaxies without the need for dark matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Preliminary modeling of triply periodic minimal surface (TPMS) structures using RELAP5-3D

With the United States Department of Energy (DOE)’s goal of quadrupling the nation’s nuclear energy supply by 2050, and with the Advanced Fuels Campaign pushing for new types of advanced reactor fuels and geometries, the need has arisen for new nuclear fuel designs. One such design is to swap out current nuclear fuel geometries in exchange for another type of geometry, called a Triply Periodic Minimal Surface (TPMS). TPMSs are self-supporting, infinitely repeating lattices—attributes that lend themselves well to additive manufacturing. These surfaces also possess enhanced heat transfer properties thanks to their internal area changes and large surface-area-to-volume ratios. Their drawback, however, is an increased pressure drop. Given the small amount of correlations and data (Reynolds numbers in the 2,000–8,000 range), and the minimal amount of experience so far obtained by modeling TPMS structures using 1D systems codes such as the Reactor Excursion and Leak Analysis Program (RELAP5-3D), further research into this topic was needed. Using data from the University of Wisconsin - Madison (UW), curve fits were created for both a Heat Transfer Coefficient (HTC) correlation and a Darcy friction factor empirical coefficient correlation. The curves’ coefficients and multipliers were then output and utilized in RELAP5-3D models of two upcoming experiments—Flow Loop for INFLUX Pressure drop (FLIP) and Microreactor Agile Non-nuclear Experimental Test (MAGNET)—aimed at increasing the available data for Reynolds numbers to the 16,000–36,000 range for TPMS structures. The models were run under the conditions utilized by a Computational Fluid Dynamics (CFD) analysis performed by another group at Idaho National Laboratory. Only CFD pressure drop values were obtained from the FLIP test, and those values showed that the RELAP5-3D models had a lower rate of pressure increase in comparison to the CFD values. In addition, there seemed to be a vertical shift upward in the pressure drop for both models whenever the TPMS porosity decreased, and the RELAP5-3D models showed a higher vertical shift in comparison to the CFD values. The MAGNET results did not correspond to any CFD or experimental results against which they could be compared, so they were instead compared against the proposed CFD input conditions. These values were then compared with each other to make sure the model seemed to be performing as expected, paving the way for future tests that can be run for the purpose of further analyses and comparisons. The pressure drop increased with temperature and mass flow rate independently. The temperature change would decrease with increasing mass flow rate and temperature, which was just as we expected based on the fact that the lower viscosity and decreased density would result in higher friction and churning losses. The last metric that was assessed was the enthalpy flow change, which increased with increasing mass flow rate and decreasing temperature.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

The Geoengineering Model Intercomparison Project Phase 6 (GeoMIP6): Simulation design and preliminary results

We present a suite of new climate model experiment designs for the Geoengineering Model Intercomparison Project (GeoMIP). This set of experiments, named GeoMIP6 (to be consistent with the Coupled Model Intercomparison Project Phase 6), builds on the previous GeoMIP project simulations, and has been expanded to address several further important topics, including key uncertainties in extreme events, the use of geoengineering as part of a portfolio of responses to climate change, and the relatively new idea of cirrus cloud thinning to allow more long wave radiation to escape to space. We discuss experiment designs, as well as the rationale for those designs, showing preliminary results from individual models when available. We also introduce a new feature, called the GeoMIP Testbed, which provides a platform for simulations that will be performed with a few models and subsequently assessed to determine whether the proposed experiment designs will be adopted as core (Tier 1) GeoMIP experiments. In conclusion, this is meant to encourage various stakeholders to propose new targeted experiments that address their key open science questions, with the goal of making GeoMIP more relevant to a broader set of communities.

58 GEOSCIENCES↗
NASA NTRS1981

Texas Symposium on Relativistic Astrophysics, 10th, Baltimore, MD, December 15-19, 1980, Proceedings

The present conference on relativistic astrophysics begins with consideration of such topics in the cosmology of the early universe as the implications of the neutrino rest mass, relic neutrino clustering, and the possibility of a matter-antimatter domain structure in the universe, and proceeds to the broader cosmological questions of the distances of extragalactic objects, the mass of the universe, and the dynamics of superclusters. Also considered are the cosmic microwave background, relativistic jet production and propagation in active galaxies, gravitational lenses, positron annihilation radiation from the galactic center region, supernova models, and the acceleration of cosmic rays by shock waves. Summaries are presented in closing, on workshops concerning such topics as gravitational radiation detectors, the UV cosmic ray background, pulsars, supernovae, active galaxies, and quasars.

Ramaty, R.↗
DOE OSTI2025

Decision-Model Supported Algal Cultivation Process Enhancement (DMSACPE) (Final Technical Report)

This project was proposed in response to the FY19 Bioenergy Technologies Office Multi-Topic Funding Opportunity Announcement DE-FOA-0002029, Area of Interest Subtopic 1 (AOI1): Cultivation Intensification Processes for Algae. The main challenge identified by the FOA was “in translating results between laboratory research systems and larger-scale outdoor (or mass culture) systems. These difficulties limit reliable experimental durations, adequate and representative experimental volumes of material, and results that can be reproduced reliably. By overcoming the challenge in translating results between laboratory and mass cultures, the objective of AOI 1 is to increase the harvest yield, robustness, and quality of algae cultivation for biofuels and bioproducts”. This report marks the final technical deliverable of this project and reviews all the major findings of the research program.

09 BIOMASS FUELS↗
NASA NTRS2014

Uncertainty in Model Predictions of Vibrio Vulnificus Response to Climate Variability and Change: A Chesapeake Bay Case Study

The effect that climate change and variability will have on waterborne bacteria is a topic of increasing concern for coastal ecosystems, including the Chesapeake Bay. Surface water temperature trends in the Bay indicate a warming pattern of roughly 0.3-0.4 C per decade over the past 30 years. It is unclear what impact future warming will have on pathogens currently found in the Bay, including Vibrio spp. Using historical environmental data, combined with three different statistical models of Vibrio vulnificus probability, we explore the relationship between environmental change and predicted Vibrio vulnificus presence in the upper Chesapeake Bay. We find that the predicted response of V. vulnificus probability to high temperatures in the Bay differs systematically between models of differing structure. As existing publicly available datasets are inadequate to determine which model structure is most appropriate, the impact of climatic change on the probability of V. vulnificus presence in the Chesapeake Bay remains uncertain. This result points to the challenge of characterizing climate sensitivity of ecological systems in which data are sparse and only statistical models of ecological sensitivity exist.

model predictions↗
DOE OSTI2018

Metabolism, Survival, and Gene Expression of Pseudomonas putida to Hematite Nanoparticles Mediated by Surface-Bound Humic Acid

Natural organic matter (NOM) is likely to coat naturally occurring nanoparticles (NNPs) in the soil environment and poses distinct effects on the interaction between NPs and soil microorganisms, however such topic has not been well investigated. This study explored the influence of nanoparticle surface-bound humic acid (HA, as a model NOM) on the toxicity of hematite NPs (i.e., nano-Fe2O3) to Pseudomonas putida (P. putida). Results showed that nano-Fe2O3 could inhibit the bacterial growth with an IC50 of 23.58 mg L-1, while nanoparticle surface-bound HA could significantly alleviate the P. putida toxicity of nano-Fe2O3. IC50 of nano-Fe2O3 increased to 4774.23 mg L-1 as a result of surface-saturation by HA. Co-precipitation experiment and transmission electron microscopy observation revealed that nanoparticle surface-bound HA prevented the adhesion of nano-Fe2O3 to the cells as well as limited cell internalization of nanoparticles due to the increased electrostatic repulsion. The generation of intracellular reactive oxygen species (ROS) was significantly limited by the nanoparticle surface-bound HA. The prevention of adhesion and inhibition of ROS generation could account for the HA-mitigated nanotoxicity. Interfacial interactions between hematite NPs and cell membrane were also evaluated on the basis of the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory, and the magnitude of interaction energy barrier correlated well with the 48 h LC50 data of hematite NPs to P. putida. This result implies that metal oxide NPs with strong association with the cell surface might induce more severe cytotoxicity in microorganisms.

natural occurring nanoparticles, na, hematite, su,↗
DOE OSTI2025

High-Resolution Modeling of the Gulf of Mexico using E3SM

Coastal ocean modeling is a high priority in the DOE‘s Energy Exascale Earth System Model (E3SM). The goal is to accurately predict the risk of damage to coastal resources and infrastructure due to a changing climate in the coming decades. North American coastal communities are areas of particular interest, as this fits under the topic of US national security and planning assessments in a changing climate. LANL Institutional Computing time for the Tier 1 allocation ”Coastal Ocean and Sea Ice Modeling” have been used for development and testing of numerical methods needed for E3SM coastal applications.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1989

The age of the Galactic disk - Inflow, chemical evolution, astration, and radioactivity

Theoretical models of Galactic evolution and observational data on the age of the Galaxy are compared, with a focus on recent results. Topics addressed include the infall of material and its effects on the age-metallicity relation, the distribution of metallicity, the present gas fraction and metallicity, and the age spectrum of interstellar nuclei; the chemical evolution of the solar neighborhood; the key results of nuclear cosmochronology; and astration effects on Galactic age. It is found that both nuclear cosmochronology and detailed stellar and Galactic evolution models tend to support an age of 12-16 Gyr.

Clayton, Donald D.↗
DOE OSTI2019

Mathematical modeling in cancer nanomedicine: a review

Cancer continues to be among the leading healthcare problems worldwide, and efforts continue not just to find better drugs, but also better drug delivery methods. The need for delivering cytotoxic agents selectively to cancerous cells, for improved safety and efficacy, has triggered the application of nanotechnology in medicine. This effort has provided drug delivery systems that can potentially revolutionize cancer treatment. Nanocarriers, due to their capacity for targeted drug delivery, can shift the balance of cytotoxicity from healthy to cancerous cells. The field of cancer nanomedicine has made significant progress, but challenges remain that impede its clinical translation. Several biophysical barriers to the transport of nanocarriers to the tumor exist, and a much deeper understanding of nano-bio interactions is necessary to change the status quo. Mathematical modeling has been instrumental in improving our understanding of the physicochemical and physiological underpinnings of nanomaterial behavior in biological systems. Here, we present a comprehensive review of literature on mathematical modeling works that have been and are being employed towards a better understanding of nano-bio interactions for improved tumor delivery efficacy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Mesoscale magnetism

Magnetic interactions give rise to a surprising amount of complexity due to the fact that both static and dynamic magnetic properties are governed by competing short-range exchange interactions and long-range dipolar coupling. Even though the underlying dynamical equations are well established, the connection of magnetization dynamics to other degrees of freedom, such as optical excitations, charge and heat flow, or mechanical motion, make magnetism a mesoscale research problem that is still wide open for exploration. Synthesizing magnetic materials and heterostructures with tailored properties will allow to take advantage of magnetic interactions spanning many length-scales, which can be probed with advanced spectroscopy and microscopy and modeled with multi-scale simulations. Finally, this paper highlights some of the current basic research topics in mesoscale magnetism, which beyond their fundamental science impact are also expected to influence applications ranging from information technologies to magnetism based energy conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Towards the next generation of Geospatial Artificial Intelligence

Geospatial Artificial Intelligence (GeoAI), as the integration of geospatial studies and AI, has become one of the fastest-developing research directions in spatial data science and geography. This rapid change in the field calls for a deeper understanding of the recent developments and envision where the field is going in the near future. In this work, we provide a quantitative analysis of the GeoAI literature from the spatial, temporal, and semantic aspects. We briefly discuss the history of AI and GeoAI by highlighting some pioneering work. Then we discuss the current landscape of GeoAI by selecting five representative subdomains including remote sensing, urban computing, Earth system science, cartography, and geospatial semantics. Finally, we highlight several unique future research directions of GeoAI which are classified into two groups: GeoAI method development challenges and GeoAI Ethics challenges. Topics include heterogeneity-aware GeoAI, knowledge-guided GeoAI, spatial representation learning, geo-foundation models, fairness-aware GeoAI, privacy-aware GeoAI, as well as interpretable and explainable GeoAI. We hope our review of GeoAI’s past, present, and future is comprehensive and can enlighten the next generation of GeoAI research.

58 GEOSCIENCES↗
DOE OSTI2020

A general mechanism for gel layer formation on borosilicate glass under aqueous corrosion

Mineral and glass dissolution is a scientific topic deeply investigated but incompletely understood and of a great interest for the geochemical and materials science communities. If the interfacial dissolution/reprecipitation mechanism seems to be applicable to most of silicate minerals, the debate remains open concerning glass. Here we studied two model glasses, a ternary borosilicate (CJ1) and the same glass doped with 4.1 mol% of Al2O3 (CJ2). The two glasses were altered at 90°C, pH 9, and in conditions far and close to saturation with respect to amorphous silica, to determine the initial and residual rates. Moreover, a specific experiment was conducted for a short duration with a solution highly enriched with 18O and 29Si isotopes to understand how passivating gels form. SEM, TEM and ToF-SIMS characterization, along with Monte Carlo simulations were used to understand the rate limiting reactions at play and infer the role of Al. We show that Al yields a slower matrix dissolution in dilute conditions. However, it slows down he formation and the maturation of the passivating gel and favors alteration by partial hydrolysis of Si and Al entities followed by in-situ reorganization/relaxation into a porous network. Unexpectedly, CJ1 experienced both interfacial dissolution/reprecipitation and partial hydrolysis followed by in situ reorganization of the silicate network during the course of a single experiment. This study offers a unified concept that can pave the way for the future development of a predictive kinetic model based on a detailed description of bond breaking and bond forming as a function of glass composition and alteration conditions.

Gin, Stephane↗
DOE OSTI2023

UniKP: a unified framework for the prediction of enzyme kinetic parameters

Prediction of enzyme kinetic parameters is essential for designing and optimizing enzymes for various biotechnological and industrial applications, but the limited performance of current prediction tools on diverse tasks hinders their practical applications. Here, we introduce UniKP, a unified framework based on pretrained language models for the prediction of enzyme kinetic parameters, including enzyme turnover number (k cat ), Michaelis constant (K m ), and catalytic efficiency (k cat / K m ), from protein sequences and substrate structures. A two-layer framework derived from UniKP (EF-UniKP) has also been proposed to allow robust k cat prediction in considering environmental factors, including pH and temperature. In addition, four representative re-weighting methods are systematically explored to successfully reduce the prediction error in high-value prediction tasks. We have demonstrated the application of UniKP and EF-UniKP in several enzyme discovery and directed evolution tasks, leading to the identification of new enzymes and enzyme mutants with higher activity. UniKP is a valuable tool for deciphering the mechanisms of enzyme kinetics and enables novel insights into enzyme engineering and their industrial applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Understanding the nature of “superhard graphite”

Numerous experiments showed that on cold compression graphite transforms into a new superhard and transparent allotrope. Several structures with different topologies have been proposed for this phase. While experimental data are compatible with most of these models, the only way to solve this puzzle is to find which structure is kinetically easiest to form. Using state-of-the-art molecular-dynamics transition path sampling simulations, we investigate kinetic pathways of the pressure-induced transformation of graphite to various superhard candidate structures. Unlike hitherto applied methods for elucidating nature of superhard graphite, transition path sampling realistically models nucleation events necessary for physically meaningful transformation kinetics. We demonstrate that nucleation mechanism and kinetics lead to M-carbon as the final product. W-carbon, initially competitor to M-carbon, is ruled out by phase growth. Bct-C 4 structure is not expected to be produced by cold compression due to less probable nucleation and higher barrier of formation.

58 GEOSCIENCES↗
DOE OSTI2024

Correlated topological flat bands in rhombohedral graphite

Flat bands and nontrivial topological physics are two important topics of condensed matter physics. With a unique stacking configuration analogous to the Su–Schrieffer–Heeger model, rhombohedral graphite (RG) is a potential candidate for realizing both flat bands and nontrivial topological physics. Here, in this study, we report experimental evidence of topological flat bands (TFBs) on the surface of bulk RG, which are topologically protected by bulk helical Dirac nodal lines via the bulk-boundary correspondence. Moreover, upon in situ electron doping, the surface TFBs show a splitting with exotic doping evolution, with an order-of-magnitude increase in the bandwidth of the lower split band, and pinning of the upper band near the Fermi level. These experimental observations together with Hartree–Fock calculations suggest that correlation effects are important in this system. Our results demonstrate RG as a platform for investigating the rich interplay between nontrivial band topology, correlation effects, and interaction-driven symmetry-broken states.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evidence for valence-bond pairing in a one-dimensional two-orbital system

Valence bond (VB) states as the formation mechanism of Cooper pairs, eventually leading to high-temperature superconductivity, remain a controversial topic. Although various VB-like states find variational relevance in the description of specific spin models and quantum spin liquids, in the realm of many-body fermionic Hamiltonians, the evidence for such states as ground-state wave functions remains elusive, challenging the valence-bond pairing mechanism. Here, we present evidence of a VB ground state with pairing tendencies, particularly at finite doping. Here, we achieved this for the generic two-orbital Hubbard model in low dimension, where the VB states can be associated with the presence of the topological order manifested by edge states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗