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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Multivariate Frequency Analysis of Annual Maxima Suspended Sediment Concentrations and Floods in the Jinsha River, China

Streamflow plays a critical role in sediment transport. Traditional frequency analysis of annual maximal (AM) suspended sediment concentrations (SSCs) is usually based on univariate distribution of SSCs and may provide a limited assessment of SSC state, leading to an underestimate or overestimate of the corresponding probability. To address this issue, we propose a multivariate frequency analysis framework is proposed for extreme sediment events using copula functions that account for the joint behavior of SSC and flood flow (i.e., peak discharge and volume). The uncertainties associated with copula modeling are also discussed. The Jinsha River in China is used as a case study. The results show that the copula-based multivariate method provides a more comprehensive assessment of extreme SSCs and their recurrence intervals than univariate frequency analysis. The uncertainty of copula modeling decreases with longer observation time and increases with larger return periods. The uncertainty ranges of the most likely design quantiles vary with different copulas, and the uncertainty range for the best-fit copula is not the smallest. This study is useful for the risk assessment of extreme SSC events under flood conditions.

42 ENGINEERING↗
DOE OSTI2020

Vadose Zone Flow and Transport Parameters Data Package for the Hanford Site Composite Analysis and Cumulative Impact Evaluation

This report provides a description of the basis for the development and implementation of a conceptual model for vadose zone flow and transport for the composite analysis (CA) groundwater pathway analysis and the cumulative impact evaluation (CIE). The parameterization for a numerical model is intimately linked to the conceptual model framework. The report describes the basis for the selection of hydraulic and transport parameters for the hydrostratigraphic units (HSUs) identified in the 200 East and 200 West Areas. Whenever data are sparse or unavailable, surrogate hydraulic properties are chosen based on samples collected within the 200 Areas and nearby locations that are representative of sediments characteristic of the HSUs identified elsewhere.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment (Final Report)

This report documents the FY25 Theory and Simulation Performance Target (TSPT) of developing an integrated modeling framework for fusion reactor design and assessment (FREDA). Over Q1-Q4, new capabilities were developed across both plasma and engineering domains and demonstrated on an example representation of a Compact Advanced Tokamak with a Dual Cooled Lead Lithium blanket. This represents a first-of-a-kind demonstration of coupled core-to-wall-to-engineering for a reactor. Self-consistent CESOL workflows were applied to provide core, pedestal, and SOL prediction; new modules were developed for energetic particle stability (FAR3D) and transport (TGLF-EP) analysis; and boundary plasma modeling (SOLPS-ITER, BOUT++/Hermes-3) was expanded to evaluate wall and divertor heat fluxes and interface with engineering thermal analysis. A parameterized CAD tool, TRACER, was expanded to generate medium-fidelity divertor, blanket, and coil geometries; OpenFOAM and Diablo workflows were applied for first-wall and divertor thermal analyses with helium cooling; and reduced-order models were created for high-mass-flux divertor cooling. Magnet multiphysics capabilities were verified between Elmer, Diablo, and a new MFEM-based solver, and workflows enable stress, thermal, and neutron-fluence analysis of TF coils with neutronics-driven heating. Nuclear and blanket analysis workflows were demonstrated, including tritium breeding, transport, and CFD-informed thermo-mechanical assessment. Preliminary multi-fidelity uncertainty quantification workflows were applied to boundary modeling codes and shown to achieve variance reductions with fewer high-fidelity boundary simulations. Key findings highlight the challenges of resolving the ITEP gap to find suitable balance between wall and divertor loads, neutron heating, and practical limits of PFC cooling. Next step priorities are to develop automated workflows to check boundary code convergence and detachment, implement tighter physics-engineering CAD provenance tracking, and inclusion of plasma-material interface models for SLAG and tungsten cracking behavior. Collectively, these developments establish sophisticated capabilities for predictive, multi-fidelity, whole-device modeling that integrates plasma physics, materials, magnets, and nuclear engineering to guide pathways to viable Fusion Pilot Plant design points.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Mechanisms of proton transport in aqueous acid solutions

The fundamental understanding of proton transport, specifically the Grotthuss-like mechanism, is critical for many technological applications. The present study presents a comprehensive analysis of proton transport in aqueous solutions of sulfuric and phosphoric acids using quasielastic neutron and light scattering, broadband dielectric spectroscopy, rheology, pulsed-field gradient-NMR measurements, and ab initio molecular dynamic simulations. Results show that in all systems, proton transport occurs through short “jumps” of ~0.5 Å that are faster than structural relaxation. However, proton hopping appears to be coupled to structural relaxation in aqueous solutions of sulfuric acid, while these processes are decoupled in phosphoric acid. Neutron scattering indicates that all protons have the same fast mobility in phosphoric acid systems, while at least one proton per sulfuric molecule remains slower than other protons. Analysis reveals correlated proton jumps, but these correlations suppress conductivity, suggesting that expected Grotthuss-like enhancement of conductivity is unlikely in bulk liquids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Deep Electrification Analysis: The Role of the U.S. Power Grid for Sustainable Transportation

This project attempts to quantify the size of electric generation for the entire nation to transition from a fossil fuel based transportation sector to a zero GHG emission-based energy source. The scope of this analysis is limited to decarbonizing the transportation sector, leaving the remaining sectors, such as power (for those that are still fossil based), industry, and building sectors, for later phases of study. The study year for this analysis is 2050, with expected escalation in transportation services and naturally occurring evolutions in the electric power sector and the entire economy. This analysis uses the projections of the Energy Information Administration’s (EIA’s) Annual Energy Outlook (AEO 2020) Reference Case for study year 2050 [EIA/AEO2020] as a base-case. The transportation sector is disaggregated by the following modes and classes: (1) on-road (divided into light-duty, medium-duty, heavy-duty vehicles), (2) aviation, (3) maritime, and (4) rail. The decarbonization case was based on only 2 pathways: (1) electrification of on-road transportation except for 30% of heavy-duty vehicles, and (2) power-to-liquid for the remaining transportation modes. The study estimated for 11 US regions what the additional wind and storage capacities requirements are to replace the fossil-based fuels with renewable wind capacity. Considered were the utilization of the existing idle capacity particularly during the load valley at night and any additional new generation capacity in EIA projections for the reference case. To balance the additional wind capacity required significant energy storage capabilities which were estimated in terms of power capacity (GW) and energy capacity (GWh). The paper further characterizes the energy requirements by a relation of power capacity to duration, allowing the analyst to gain insights into what the best technology portfolio might be to meet the new balancing or flexibility needs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Vadose Zone Flow and Transport Parameters Data Package for the Hanford Site Composite Analysis

This report provides a description of the basis for the development and implementation of a conceptual model for vadose zone flow and transport for the Hanford Site composite analysis (CA) groundwater pathway analysis. The parameterization for a numerical model is intimately linked to the conceptual model framework. This report describes the basis for the selection of hydraulic and transport parameters for the hydrostratigraphic units (HSUs) identified in the 200 East and 200 West Areas. The following three-step process was used to develop the hydraulic properties and transport parameters for the CA modeling: 1. Breakdown of existing database on hydraulic properties by HSUs 2. Constitutive model parameters for laboratory, core-scale hydraulic properties 3. Upscaling for macroscopic, field-scale flow, and transport parameters This document provides data and information on the following items: A brief description and technical basis for the conceptual model selected to represent vadose zone flow and transport for the CA modeling. Variation in sediment particle size distribution for representative sites in the 200 East and West Areas. A summary of effective (upscaled) moisture retention, and saturated and unsaturated hydraulic conductivity estimates for the HSUs in the 200 East and West Areas. A summary of effective transport parameters, including sediment bulk density and macrodispersivity estimates for various HSUs. The 200 East Area B Complex perched water aquifer hydraulic properties

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Bottom‐Up Synthesized Nanoporous Graphene Transistors

Abstract Nanoporous graphene (NPG) can exhibit a uniform electronic band gap and rationally‐engineered emergent electronic properties, promising for electronic devices such as field‐effect transistors (FETs), when synthesized with atomic precision. Bottom‐up, on‐surface synthetic approaches developed for graphene nanoribbons (GNRs) now provide the necessary atomic precision in NPG formation to access these desirable properties. However, the potential of bottom‐up synthesized NPG for electronic devices has remained largely unexplored to date. Here, FETs based on bottom‐up synthesized chevron‐type NPG (C‐NPG), consisting of ordered arrays of nanopores defined by laterally connected chevron GNRs, are demonstrated. C‐NPG FETs show excellent switching performance with on–off ratios exceeding 10 4 , which are tightly linked to the structural quality of C‐NPG. The devices operate as p‐type transistors in the air, while n‐type transport is observed when measured under vacuum, which is associated with reversible adsorption of gases or moisture. Theoretical analysis of charge transport in C‐NPG is also performed through electronic structure and transport calculations, which reveal strong conductance anisotropy effects in C‐NPG. The present study provides important insights into the design of high‐performance graphene‐based electronic devices where ballistic conductance and conduction anisotropy are achieved, which could be used in logic applications, and ultra‐sensitive sensors for chemical or biological detection.

Mutlu, Zafer↗
DOE OSTI2025

Electronic and thermal properties of the phase-change memory material, Ge 2 Sb 2 Te 5 , and results from spatially resolved transport calculations

Here, we report new insights into the electronic, structural, and transport (heat and charge) properties of the phase-change memory material amorphous Ge 2 Sb 2 Te 5 . Using realistic structural models of Konstantinou et al., (2019), we analyze the topology, electronic states, and lattice dynamics with density functional methods, including hybrid-functional calculations and machine-learned interatomic potentials. The Kohn–Sham orbitals near the Fermi level display a strong electron–phonon coupling, and exhibit large energy fluctuations at room temperature. The conduction tail states exhibit larger phonon-induced fluctuations than the valence tail states. To resolve transport at the atomic scale, we employ space-projected electronic conductivity and site-projected thermal conductivity methods. Local analysis of heat transport highlights the role of filamentary networks dominated by Te, with Sb and Ge making progressively smaller contributions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

On the novel 3-D neutron transport kinetic tRAPID algorithm and its validation

The Real-time Analysis for Particle-transport and In-situ Detection (RAPID) Code System, based on the Multi-stage Response-function Transport (MRT) methodology, allows for real-time simulation of nuclear systems based on 3-D continuous-energy particle transport. RAPID's steady-state (criticality) neutron transport algorithm is based on the Fission Matrix (FM) method, and has been extensively verified and validated against computational benchmarks and experiments. This paper introduces the novel 3-D time-dependent transport algorithm that has been implemented into the code, tRAPID, and its validation using the JSI TRIGA Mark-II reactor. tRAPID accurately and efficiently calculates neutron kinetics parameters (such as β{sub eff}, l{sub eff} , Λ, α{sub Rossi}) and 3-D time-dependent neutron fission source distribution and neutron importances for both prompt and delayed neutrons. tRAPID is used to simulate a rod insertion experiment performed at the JSI TRIGA Mark-II reactor, during which signals from four fission chambers at four different locations in the core were collected. The results demonstrate how tRAPID is capable of calculating detailed and accurate results with only a minimal use computational resources and time.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Theory of mean E × B shear in a stochastic magnetic field: ambipolarity breaking and radial current

The mean E $ \times $ B shear in a stochastic magnetic field is calculated, using the radial force balance relation and transport equations. This analysis is relevant to the L → H transition with resonant magnetic perturbations, and special focus is placed upon the physics of non-ambipolar transport and radial current. The key physical process is the flow of fluctuating currents along wandering magnetic fields. The increments in poloidal and toroidal rotation, density and ion pressure are calculated. The radial envelope of the magnetic perturbations inside the plasma defines a new scale ${\ell _{{\text{env}}}}$, which is the characteristic scale of the magnetic fluctuation intensity profile. Here, the net particle outflow due to stochastic magnetic fields is calculated and is determined by the net radial current through the separatrix. Implications for the L → H transition are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Multiphase Species Transport Modeling for Molten Salt Reactors in the System Analysis Module: Generation, Decay, Deposition, and Extraction of Insoluble Fission Products

With the increase of interests in the design and deployment of advanced reactor systems, a desire for simulation tools supporting system analysis of reactor operation and safety is rising. Molten salt reactors (MSRs), one of the advanced reactor systems, utilize liquid fused salt fuel as both coolant and fuel. During operation, MSR generates insoluble fission products, including noble metals and gases. The buildup of these species in fuel salt presents safety concerns as they may deposit on surfaces of critical components and produce excessive decay heat, causing the failure of system components. Timely removal of these noble metals and gases would ensure the safe operation of the reactor system. The dynamic nature of salt fuel system, involving the generation, decay, deposition, and extraction of noble metals and gases, calls for robust species transport models to facilitate system analysis and monitoring, and design of efficient species removal components. This paper concentrates on the development of a computational framework for species transport, consisting of multiphase transport model formulation, mass transfer between phases, numerical implementation in MOOSE environment, verification through Method of Manufacture Solutions (MMS) and validation against experimental data from the Molten Salt Reactor Experiment (MSRE). Integrating this framework into the System Analysis Module (SAM) code further enhances SAM’s capabilities for advanced reactor analysis in the future.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

A nodal transport method for coupled fast-thermal reactor analysis

We report that for efficient core analyses of coupled fast-thermal reactors, a new deterministic method has been developed based on the variational nodal transport method of VARIANT. A new multigroup cross section generation procedure was devised by combining Monte Carlo lattice calculations for thermal assemblies and the two-step procedure of the MC 2 -3 code for fast assemblies. To reduce assembly homogenization errors in nodal transport calculations, a new nodal equivalence method was developed based on the partial current discontinuity factor (PCDF) and incorporated in VARIANT. A practical procedure to calculate PCDFs with fixed source supercell calculations was also devised. The performance of the proposed method was investigated using a test problem derived from the versatile coupled test reactor (VCTR) design. The new procedure produced multigroup cross sections accurately for all assemblies. VARIANT transport calculations with PCDFs produced accurate multiplication factor and power distribution compared to reference Serpent-2 Monte Carlo solutions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Shutdown dose rate analysis with the Shift Monte Carlo radiation transport code and modular verification workflow

Calculation of the shutdown dose rate is crucial for safe fusion reactor operations. The Rigorous-two-step (R2S) method is a method that requires connected neutron transport, activation, and gamma transport. Shift has integrated variance reduction with a deterministic solver Denovo, supports multiple geometry formats, and is scalable. These features make it an attractive transport solver choice for an R2S workflow. An R2S workflow for the Shift Monte Carlo code is developed and compared to the existing Oak Ridge National Laboratory Shutdown Dose Rate Code Suite (ORCS) workflow. Also, a Python framework for integrating two R2S workflows is developed to mix and match each step in the R2S workflow for improved collaboration and verification experience. In this study, results show that the Shift-Denovo R2S workflow and the ORCS workflow calculate the shutdown dose rate of the ITER Shutdown Dose Rate benchmark problem with an average relative error of 2.285%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Modeling Temperature Profiles in the Pedestal of NSTX with Reduced Models

This paper describes new modeling capabilities for predicting H-mode pedestal profiles in spherical tokamaks. Temperature profiles for NSTX discharges 132543 and 132588 are modeled by coupling the \textsc{astra} transport solver with neoclassical transport and gyrokinetic-based reduced models for electron temperature gradient (ETG) and kinetic ballooning mode (KBM) instabilities. A quasi-linear surrogate model for ion-scale transport is developed using linear \textsc{gene} simulations, requiring only a single free parameter calibrated to one discharge. Time-evolving the temperatures with fixed density yields good agreement with experiments for both discharges. Systematic analysis of the transport mechanisms reveals that neoclassical transport is huge across the entire pedestal region for the ion channel. ETG turbulence is large in the plasma edge and low density gradient region, contributing substantially to the electron channel. However, KBM/MHD-like modes also drive significant transport in both the ion and electron thermal channels, making them essential for accurate pedestal modeling. Further refinements, including explicit E×B shear suppression and scaled ETG transport, produce quantitative but not qualitative improvements. This work lays the foundation for predictive modeling of future devices. This paper is on arxiv and has been submitted to Nuclear Fusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Predictive Contaminant Transport Simulation with the P2R Model for the Composite Analysis Inventory Sensitivity Case

The Plateau to River (P2R) Model is a groundwater flow and contaminant fate and transport (F&T) simulation model used to support remedial activities conducted by the Central Plateau Cleanup Company (CPCCo) at the Hanford Site in Washington State. The model simulates contaminants of concern within the saturated zone of the uppermost aquifer beneath the Central Plateau and downgradient to the Columbia River. The overall objective of the saturated zone modeling effort is to provide a basis for making informed remedial action decisions based on descriptions of current and expected future contaminant concentrations in groundwater at decision points within and downgradient of the Central Plateau of the Hanford Site. Specifically, the purpose of this environmental calculation file (ECF) is to describe an inventory sensitivity case of the CA base case. The inventory sensitivity case implements a change in the activity contribution from the vadose zone in the A Trenches Area model (for tritium (H-3) and iodine-129 (I-129)), BC Cribs and Trenches model (for I-129 and technetium-99 (Tc-99)), and the PUREX Area model (for H-3 and I-129). All other simulated inventories are identical to the CA base case. The simulation of F&T of contaminants reported in this case will support dose predictions as part of the Hanford Site CA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Model Development and Analysis of a High-Fidelity Neutron Transport Sensor: The Quadrupole Detector Concept for Measurement of the Neutron Flux Gradient

Accurate reconstruction of the neutron flux distribution within a reactor core is essential for safe and efficient reactor operation. Traditional power shape synthesis in Light Water Reactors relies on hundreds of in-core detectors. However, this approach becomes impractical for Advanced Reactors and Microreactors due to limited space and harsh environments. To address this challenge, we propose a data-driven methodology that combines high-fidelity modeling with real-time ex-core sensor measurements, enabling the reconstruction of core power distribution while minimizing the reliance on intrusive in-core instrumentation. This project began in FY24 and achieved two initial milestones: (1) the definition of a three-year development plan for a Digital Twin framework and (2) the development of high-fidelity neutronics models of the Purdue University Reactor One (PUR-1) using both MCNP6 and OpenMC. The PUR-1 reactor, a zero-power facility, was selected due to its suitability for neutronics-focused modeling and the availability of experimental data for validation. Both models were benchmarked using neutron flux measurements obtained from irradiated gold foils, which were strategically placed within the core during a dedicated campaign in July 2024. This report marks the continuation and completion of those foundational tasks. The OpenMC model has been refined (improved geometric accuracy, expanded cross-section libraries, and refined sampling) and validated using additional experimental data. An updated sensor design—based on quadrupole configuration—was designed to measure both ex-core flux and its spatial gradient. These measurements will serve as inputs to a neural network-based reconstruction algorithm. Finally, the methodology was demonstrated on a two-dimensional test case representative of the heterogeneous material composition of the PUR-1 reactor core. A neural network implementation of the Kirchhoff-Helmholtz integral equation was employed to solve the boundary value problem using peripheral sensor measurements. The preliminary results confirm the strong potential of the proposed approach for accurate and minimally invasive neutron flux reconstruction.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Sampling and Analysis Plan for Investigation of Undeclared Nuclear Activities - 20104

The nuclear-centered energy policy in South Korea is moving towards a nuclear-free era. It also facilitates an action or progress on the denuclearization of the Korean peninsula. The Nuclear Safety and Security Commission (NSSC) launched a new R and D project which attempts to verify nuclear activities via analyzing environmental samples. Environmental samples possibly contain significant radiological information relevant to past undeclared activities. In order to precisely verify them, it is essential to provide 1) the concrete information of target facilities, 2) appropriate methodologies and procedures, and 3) well-suited instrumentation and equipment corresponding to sample signatures. It is also important to provide scientific reliability or validity in any process such as sample collection, handling, transportation and laboratory analysis. Therefore, the information of nuclear facilities (fuel fabrication plant, graphite moderated reactor, reprocessing plant) in North Korea are reviewed in order to determine parameters for appropriate sampling methods representing a facility's characteristics. Secondly, a sampling procedure for radioactive elements is being developed based on international and domestic standards such as ASTM (American Society for Testing and Materials), KS (Korean industrial Standards), and International Atomic Energy Agency (IAEA) manuals. The procedure contains some specific information including sampling process, sampling tools, amount of sample, sample identification, and other related information. Developing the qualified national guidelines is most important since sampling and analyzing results can be used as evidences of nuclear activities. The guideline developed through this work will clearly define various methodologies such as document verification, sampling procedures, collection methods, sample storage criteria, chain of custody, and transportation conditions. The final objective of this work is to establish the infrastructure and regulatory framework for assessment of nuclear activities, and provide a national guideline for sampling and analysis. This will bring confidence in the results and play a critical role in complete denuclearization progress in South Korea. (authors)

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

Strong Proton‐Phonon Coupling Drives Fast Ion Transport in Perovskites

Conduction of protons in solids is a cooperative process propelled by phonons, with molecular details obscured by the irregular movements in the thermal bath. It is shown that substitution with Y forms an imaginary phonon mode, instrumental for the function as proton conductor and effectively lowering the activation barrier for proton transport. To untangle the interplay in the exemplary proton conductor BaSn 0.9 Y 0.1 O 3 , its crystallographic structure is determined with high resolution neutron diffractometry and its phonon density of states with density functional theory calculations, experimentally validated by element specific nuclear resonant vibration spectroscopy. Based on phonon analysis, a quantitative transport model is present, which predicts the activation energy and performance by the ratio of ionic radii. Rather than individual vibrational modes, it is the oxygen sub-lattice which exerts its momentum on the protons. The extent of this momentum transfer is governed by the ratio of ionic radii. This model extends the transition state theory by the phonon-phonon interaction and complements the previously proposed idea that lattice dynamics is decisive for proton transport and specifies which properties of the material exactly define the vibration properties.

activation barriers↗