Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “species transport”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Species Transport Framework Development in SAM for System-Level Tritium Source Term Analysis

The SAM code is under development as a modern system-level modeling and simulation tool for advanced non–light water reactor safety analyses, with recent efforts to add capabilities to evaluate radiological source term risks in these novel reactor concepts. By leveraging the established system-level multiphysics thermal-hydraulic models in SAM, a framework for tightly coupled species transport modeling has been integrated into the code for engineering-scale source term evaluation. This species transport framework was first applied to the simulation of tritium, which is a well-known source term in conventional light water reactors. Tritium poses a unique risk in salt-cooled reactors, especially those with lithium-bearing salts such as the fluoride salt–cooled high-temperature reactor (FHR) concept, as tritium is generated in the salt coolant in significant quantities due to neutron interactions. A compounding factor is the increased mobility of tritium at high temperatures, which is able to permeate through metals while also potentially being retained in graphite pebbles and structures. Engineering-scale models for the tritium transport pathways in a FHR have been developed using the new species transport framework in SAM. The capabilities are assessed through analytical verification problems and validated with data from a graphite retention experiment. In conclusion, the system-level model is demonstrated by performing an initial estimate of baseline tritium generation and flows in a generic reference SAM FHR model, setting a foundation for future studies of source term transient analysis with the potential for further multiscale and multiphysics integration.

SAM↗
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 OSTI2024

FY24 Mole Development Updates and SAM-Mole Coupling for MSR Species Transport Applications

In this report, a new coupling strategy linking Mole to SAM is demonstrated where SAM is used to drive the solution and Mole is used primarily as a library for mass transport coefficient models. Groundwork is laid to transition Mole into a harbor for various mass transfer coefficient models, which generally take the form of scalar, auxiliary Multiphysics Object-Oriented Simulation Environment (MOOSE) kernels. It is envisioned that these models will be agnostic to the spatial discretization scheme and can be used across the MOOSE ecosystem, providing a centralized library for certain mass transfer coefficients to MOOSE codes that must account for liquid-to-vapor and vapor-to-liquid mass transport phenomena for both high-volatility and low-volatility species.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1989

Mechanics of chemical species transport in the marine atmospheric boundary layer

Marine atmospheric boundary layer (MABL) drafts are modeled as steady-state plumes using the approach proposed by Telford (1966), and the model response to varying forcing and boundary conditions is examined. Since most of the chemical species are passive tracers within the MABL, variations in the implied fluxes are determined as a combination of the boundary conditions for the chemical species and the thermodynamic forcing implied by the stability and thermal boundary conditions.

Hanson, Howard P.↗
NASA NTRS1975

Water resources planning for rivers draining into Mobile Bay. Part 2: Non-conservative species transport models

Total coliform group bacteria were selected to expand the mathematical modeling capabilities of the hydrodynamic and salinity models to understand their relationship to commercial fishing ventures within bay waters and to gain a clear insight into the effect that rivers draining into the bay have on water quality conditions. Parametric observations revealed that temperature factors and river flow rate have a pronounced effect on the concentration profiles, while wind conditions showed only slight effects. An examination of coliform group loading concentrations at constant river flow rates and temperature shows these loading changes have an appreciable influence on total coliform distribution within Mobile Bay.

April, G. C.↗
DOE OSTI2025

A GPU ‐Accelerated 3D Unstructured Mesh Based Particle Tracking Code for Multi‐Species Impurity Transport Simulation in Fusion Tokamaks

ABSTRACT This paper presents the multi‐species global impurity transport capability developed in a GPU‐accelerated fully 3D unstructured mesh‐based code, GITRm, to simultaneously track multiple impurity species and handle interactions of these impurities with mixed‐material surfaces. Different computational approaches to model particle‐surface interaction or surface response have been developed and compared. Sheath electric field is taken into account by employing a fast distance‐to‐boundary calculation, which is carried out in parallel on distributed or partitioned meshes on multiple GPUs without the need for any inter‐process communication during the simulation. Several example cases, including two for the DIII‐D tokamak, that is, one with the SAS‐V divertor and the other with the collector probes, are used to demonstrate the utility of the current multi‐species capability. For the DIII‐D probe case, the capability of GITRm to resolve the spatial distribution of particles in localized regions, such as diagnostic probes, within non‐axisymmetric tokamak geometries is demonstrated. These simulations involve up to 320 million particles and utilize up to 48 GPUs.

Nath, Dhyanjyoti D. [Scientific Computation Resear↗
NASA NTRS1986

Three-dimensional computation of mixing of transverse injector in a ducted supersonic airstream

Numerical solutions of the three-dimensional mass-averaged elliptic Navier-Stokes equations, including species transport, are obtained for nonreacting, turbulent, mixing flow fields for the case of transverse sonic injection of a secondary gas into a supersonic airstream through a circular orifice injector. Results are presented for flow through a constant area duct and through a duct with a rearward-facing step upstream of the injector. The equations are numerically integrated using MacCormack's explicit method and turbulence is included using the Baldwin-Lomax algebraic eddy viscosity model. In the species transport and energy equations, diffusion coefficients based on Fick's law and an assumption of unit Lewis number are applied. The computations were performed on a CDC-VPS-32 (extended version of Cyber-205) using a grid consisting of approximately 200,000 points. The computed results are compared with experimentally observed penetration and spreading boundaries for an injected gas at two dynamic pressure ratios. Three-dimensional flow field structures are dipicted in terms of static pressure, mass fractions of species and velocity vectors.

Uenishi, K.↗
DOE OSTI2025

Dusty Gas Model for Solid Oxide Fuel Cell Fuel Electrode

This model applies the Dusty Gas Model simulate multi-component species transport in SOFC (solid oxide fuel cell) anodes which considers the pressure gradient across the fuel electrode. This studyhas been verified with the analytical solution for different fuel electrode thicknesses and with literature values. The model was developed using the VoronoiFVM platform in Julia which is a built in implicit and semi implicit solver that integrates electrochemical behavior, microstructural effects, and transient analysis for accurate prediction of species transport under varying conditions.

dusty gas model (DGM)↗
DOE OSTI2025

Initial steady-state core simulation capability or thermal and pool-type molten salt reactors, coupling reactor physics, thermal-hydraulics, and evolving chemistry

This report presents the development and validation of an initial steady-state multiphysics capability for molten salt reactors (MSRs) under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in Fiscal Year 2025. The framework integrates neutronics, thermal-hydraulics, species transport, and thermochemistry to capture the coupled dynamics of liquid-fueled systems. Implementation and testing were performed on two representative designs: the Molten Salt Reactor Experiment (MSRE), a thermal-spectrum, channeled-flow reactor, and the Lotus Molten Salt Reactor (L-MSR), a fast-spectrum, pool-type reactor. The modeling suite employs Griffin for reactor physics and depletion, Pronghorn and SAM for thermal-hydraulics, Thermochimica for chemistry, and Saline for thermophysical properties, with benchmarking and validation carried out against historical MSRE data, experimental flow-loop measurements, and reference depletion calculations from Monte Carlo codes. The framework demonstrated the ability to reproduce key reactor behaviors including temperature feedback, reactivity losses, delayed neutron precursor transport, xenon poisoning, and redox potential evolution. The results confirm the feasibility and accuracy of the coupled models in predicting steady-state and selected transient MSR behaviors. This latter ones are used in this report as a proxy indicating that the steady-state models from which the transient starts are accurate. For MSRE, validation showed good agreement with pump start-up and natural circulation tests, while for the L-MSR, benchmarking confirmed hydraulic calibration and consistency of neutronics–thermal coupling. The tools also provided new insights into species transport, noble metal deposition, and salt solidification dynamics. On the Xenon transport front, the code is validated against the steady state Xenon poisoining measurement and showed good agreement with the experimental value. Identified areas for future work include advanced void transport modeling, three-dimensional simulations, improved alloy corrosion models, and tighter integration with high-fidelity Monte Carlo codes. These developments provide a foundation for high-fidelity MSR simulations that can support reactor design optimization, safety assessments, and long-term operational strategies.

42 - ENGINEERING↗
DOE OSTI2026

Influence of Surfactants on Noble Metal Liquid-Gas Interface Mass Transfer in Molten Salt Reactors

Noble metals, a group of insoluble fission products (FPs), can accumulate in molten salt reactors (MSRs) and influence system performance and safety through deposition. Upon generation in fission, noble metals are transported by circulating salt and may either deposit on structural surfaces or enter the circulating gas bubble interfaces. While sparging was primarily designed for xenon and krypton removal, the mass transfer of noble metals into bubble interfaces highlights a potential pathway for their transport and partial extraction. The properties of the liquid-gas interface therefore play an important role in noble metal deposition and removal behaviors. Observations from earlier studies suggest that noble metals accumulated at the bubble interface can act as surfactants, making the bubble interface partially immobile. This behavior reduces the mass transfer capacity of circulating bubbles and affects both the overall distribution of noble metals in the loop and their removal efficiency. To investigate the influence of surfactants on noble metal transport, deposition, and extraction behaviors in MSRs, a previously developed and validated species transport model incorporating noble metal interphase mass transfer was used to simulate these behaviors. Two designed cases were studied to predict the distribution of 132Te along the Molten Salt Reactor Experiment (MSRE) loop under different bubble interface conditions. The results show that the mass transfer coefficients at the liquid-gas interface, determined by bubble interface characteristics, significantly influence noble metal distribution within the reactor loop. These findings emphasize the importance of continuously introducing fresh circulating bubbles into the molten salt to improve the removal efficiency of insoluble FPs from the MSR primary loop.

MSR↗
NASA NTRS1987

Three-dimensional computations of transverse hydrogen jet combustion in a supersonic airstream

A computational fluid dynamics (CFD) code is being developed to compute the mixing and combustion of hydrogen fuel in the turbulent flow fields of supersonic combustion ramjets (scramjet). The code solves the three-dimensional Reynolds time-averaged complete Navier-Stokes equations including transport equations for a four species, two reaction, global finite rate chemistry model. The code was applied to the case of transverse injection of hydrogen from a sonic circular orifice into a supersonic airstream. The equations were numerically integrated using MacCormack's explicit method, and the algebraic eddy viscosity model of Baldwin-Lomax was used to model the turbulence. In the species transport and energy equations, diffusion coefficients based on Fick's Law and an assumption of unit Lewis number were applied. Computed features of the three-dimensional flow field are depicted by static pressure, static temperature, mass fraction of species, and velocity vectors. For engineering interest, mixing and combustion parameters were examined to assess the effect of injector diameter, injected fuel pressure, fuel-air ratio, and spacing of fuel injectors. The objective of the present paper is to demonstrate the capability of the present three-dimensional spatially elliptic, CFD code for turbulent, reacting flow. Application of the code to specific supersonic combustion configurations is planned.

Uenishi, K.↗
NASA NTRS1995

The effects of detailed chemistry and transport on microgravity droplet combustion

A brief overview of recent advances in the theoretical study of microgravity droplet combustion is presented. Much of this work has centered on the development and utilization of sphero-symmetric transient numerical models which consider detailed gas phase chemistry and transport as well as energy and/or species transport within a regressing condensed phase. Numerical results for microgravity combustion and vaporization of methanol, methanol/water, heptane, and heptane/hexadecane droplets are summarized along with refinements in chemical kinetics and the development of a new two-dimensional axi-symmetric model.

Marchese, A. J.↗
DOE OSTI2024

Effect of Cathode Cooling in Three-Dimensional Simulations of an Atmospheric Pressure Glow Discharge

The Atmospheric Pressure Glow Discharge (APGD) is a relatively simple and versatile plasma source used in a wide range of applications. Active cooling of the cathode can effectively mitigate instabilities, leading to glow-to-arc transitions. This study investigates the effect of varying the degree of cathode cooling in APGD with a planar cathode in helium. The plasma flow model incorporates mass conservation, chemical species transport, momentum conservation, conservation of thermal energy of heavy species and of electrons, and electrostatics. The model is applied to time-dependent simulations through a three-dimensional computational domain describing the whole discharge, without geometric symmetry or steady-state assumptions. Simulations of an experimentally characterized APGD explore the effects of electric current and cathode cooling—ranging from thermally insulated to extreme convective cooling. Results show the formation of an annular region with high electric field over the cathode surface under conditions of high current and low cooling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2000

Transport and Mixing in the Stratosphere and Troposphere

Long-term changes in the composition of the atmosphere are known to have significant effects on atmospheric chemistry and stratospheric ozone. Increasing levels of greenhouse gases have the potential to change the global climate in the middle and upper atmospheres, as well as in the troposphere. Volcanic eruptions, El Nino events, and other natural variations can also cause changes in atmospheric composition and climate. Whether the causes are natural or manmade, changes in the global climate system can have impacts on human society. In order to understand and predict the consequences of these changes, and of control measures such as the Montreal Protocol, it is necessary to understand the complex interactions between radiation, chemistry, and dynamics in the atmosphere. Much of the uncertainty in our understanding of atmospheric processes comes from an incomplete understanding of atmospheric transport. A complete and self-consistent model of transport requires not only an understanding of trace-species transport, but also the transport of dynamically active quantities such as heat and potential vorticity. Therefore, the goal of the proposed research is to better understand large-scale transport and mixing processes in the middle atmosphere and troposphere.

Bowman, Kenneth P.↗
NASA NTRS1988

Convection and mass-transport in laser-induced chemical vapor deposition

Gas flow and energy and species transport in laser-induced chemical vapor deposition (LICVD) of amorphous silicon films by silane pyrolysis are analyzed by finite element analysis of a two-dimensional model for the process. Spatial nonuniformity of the deposited film is shown to result from diffusion controlled transport of products between the beam and substrate. Deposition profiles are affected by buoyancy-driven convection only at increased gas pressures. Horizontal orientation of the reactor with respect to gravity is optimal because the stagnation-like flow, that results adjacent to the substrate, enhances mixing, and smoothes the film profile.

Patnaik, S.↗
NASA NTRS1999

[A Study of Data From the Photochemistry of Ozone Loss in the Arctic Region In Summer (POLARIS) Mission]

The Photochemistry of Ozone Loss in the Arctic Region In Summer (POLARIS) mission was designed to investigate the natural summer decrease of stratospheric ozone levels. Both polar regions have large and distinct annual cycles of ozone column amounts. In northern spring, the average level is over 450 Dobson units (DU), decreasing to less than 275 DU by September. In order to cover this period of ozone decrease, POLARIS was conducted in three deployment phases from Fairbanks, Alaska, (650N) during the summer of 1997. The principal measurement platforms were the NASA ER-2 high-altitude aircraft and stratospheric balloons. Additional measurements were provided by ground-based instruments, sondes, and satellites. POLARIS observations included ozone, meteorological variables, particles, long-lived chemicals, and short-lived radicals. During the field deployments, several modeling and theoretical groups participated in flight planning and data evaluation activities. The interpretive studies in this Special Section of the Journal of Geophysical Research are a first comprehensive examination of the POLARIS data set, addressing stratospheric ozone abundances and its changes; the role of aerosols; details of the photochemistry of reactive species; transport of stratospheric air and the correlations of long-lived species; and measurement intercomparisons.

Newman, Paul A.↗
DOE OSTI2025

Investigating the Impact of Absorbed Surface Impurities (CO, CO 2 , CH 4 , and H 2 O) on Getter Rate Performance

This report provides an overview of engineering and experimental efforts to establish a new capability for measuring H2 uptake rates for Tritium Producing Abosrber Rod (TPBAR) getter materials. This new system was used to gain a better understanding of the impact of contaminant species (CO 2 , CO, CH 4 , and H 2 O) on getter performance under relevant hydrogen uptake conditions (350 °C, 20 torr). Herein, we successfully established a high-resolution gravimetric sorption (HRGS) system in a flow through configuration that can measure sample mass changes with high resolution (1 µg or 10 µg) over long experiment times (days), high temperature, and varying pressures. We coupled this capability with an in-line universal gas analyzer (UGA) system to characterize potential surface chemistry side reactions occurring after contaminant gas exposure. The major findings of this study suggest that methane and CO have the most detrimental effects on getter H 2 uptake performance showing large changes in rate after exposure compared to CO 2 and water. The effect of these contaminant species did not influence getter sample capacity (~ 1.8 wt% H 2 ). After CO and methane exposure, changes in getter rate were accompanied by observable Ni-surface defects and pinholes via SEM imaging suggesting possible Ni- layer corrosion. Additionally, the increase in C and O signal in the zircaloy layer, observed via EDX, point to C and O species transport through the getter sample resulting in the formation of carbides and oxide species. Thus, co-exposure studies where mixed gases or water vapor are introduced together will be important to further understand what mechanisms are contributing to Ni-layer corrosion and changes in getter performance.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Flux-difference split parabolized Navier-Stokes algorithm for non-equilibrium chemically reacting flows

A flux-difference split explicit finite-difference algorithm is presented for solving the parabolized form of the equations governing three-dimensional nonequilibrium chemically reacting flows. The algorithm is based on an explicit noniterative, upwind space-marching scheme developed by Korte, but differs in that the unsteady Riemann problem, rather than the steady Riemann problem, is solved. The algorithm allows either a second or an approximately third-order accurate upwind treatment of the convection terms by employing the unsteady approximate Riemann solver of Roe. The source terms of the species transport equations are treated in either an explicit or implicit manner, and the species diffusion terms are modeled with either a Fickian or a multicomponent model. A validation of the algorithm is performed by comparing computational results with the 2-D Mach 14, 15 degree compression-corner data of Holden. The three-dimensional capability of the algorithm is demonstrated by computing Mach 2.7 flow over a swept wedge scramjet fuel injector, and three-dimensional reacting flow capability is demonstrated by a computing a shock-jet interaction concept for mixing and combustion enhancement.

White, J. A.↗