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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Evaluating integrated surface/subsurface permafrost thermal hydrology models in ATS (v0.88) against observations from a polygonal tundra site

Numerical simulations are essential tools for understanding the complex hydrologic response of Arctic regions to a warming climate. However, strong coupling among thermal and hydrological processes on the surface and in the subsurface and the significant role that subtle variations in surface topography have in regulating flow direction and surface storage lead to significant uncertainties. Careful model evaluation against field observations is thus important to build confidence.We evaluate the integrated surface/subsurface permafrost thermal hydrology models in the Advanced Terrestrial Simulator (ATS) against field observations from polygonal tundra at the Barrow Environmental Observatory. ATS couples a multiphase, 3D representation of subsurface thermal hydrology with representations of overland nonisothermal flows, snow processes, and surface energy balance. We simulated thermal hydrology of a 3D ice-wedge polygon with geometry that is abstracted but broadly consistent with the surface microtopography at our study site. The simulations were forced by meteorological data and observed water table elevations in ice-wedge polygon troughs. With limited calibration of parameters appearing in the soil evaporation model, the 3-year simulations agreed reasonably well with snow depth, summer water table elevations in the polygon center, and high-frequency soil temperature measurements at several depths in the trough, rim, and center of the polygon. Upscaled evaporation is in good agreement with flux tower observations. The simulations were found to be sensitive to parameters in the bare soil evaporation model, snowpack, and the lateral saturated hydraulic conductivity.Timing of fall freeze-up was found to be sensitive to initial snow density, illustrating the importance of including snow aging effects. The study provides new support for an emerging class of integrated surface/subsurface permafrost simulators.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

AMORE-Isoprene v1.0: a new reduced mechanism for gas-phase isoprene oxidation

Abstract. Gas-phase oxidation of isoprene by ozone (O3) and the hydroxyl (OH) and nitrate (NO3) radicals significantly impacts tropospheric oxidant levels and secondary organic aerosol formation. The most comprehensive and up-to-date chemical mechanism for isoprene oxidation consists of several hundred species and over 800 reactions. Therefore, the computational expense of including the entire mechanism in large-scale atmospheric chemical transport models is usually prohibitive, and most models employ reduced isoprene mechanisms ranging in size from ∼ 10 to ∼ 200 species. We have developed a new reduced isoprene oxidation mechanism using a directed-graph path-based automated model reduction approach, with minimal manual adjustment of the output mechanism. The approach takes as inputs a full isoprene oxidation mechanism, the environmental parameter space, and a list of priority species which are protected from elimination during the reduction process. Our reduced mechanism, AMORE-Isoprene (where AMORE stands for Automated Model Reduction), consists of 12 species which are unique to the isoprene mechanism as well as 22 reactions. We demonstrate its performance in a box model in comparison with experimental data from the literature and other current isoprene oxidation mechanisms. AMORE-Isoprene's performance with respect to predicting the time evolution of isoprene oxidation products, including isoprene epoxydiols (IEPOX) and formaldehyde, is favorable compared with other similarly sized mechanisms. When AMORE-Isoprene is included in the Community Regional Atmospheric Chemistry Multiphase Mechanism 1.0 (CRACMM1AMORE) in the Community Multiscale Air Quality Model (CMAQ, v5.3.3), O3 and formaldehyde agreement with Environmental Protection Agency (EPA) Air Quality System observations is improved. O3 bias is reduced by 3.4 ppb under daytime conditions for O3 concentrations over 50 ppb. Formaldehyde bias is reduced by 0.26 ppb on average for all formaldehyde measurements compared with the base CRACMM1. There was no significant change in computation time between CRACMM1AMORE and the base CRACMM. AMORE-Isoprene shows a 35 % improvement in agreement between simulated IEPOX concentrations and chamber data over the base CRACMM1 mechanism when compared in the Framework for 0-D Atmospheric Modeling (F0AM) box model framework. This work demonstrates a new highly reduced isoprene mechanism and shows the potential value of automated model reduction for complex reaction systems.

58 GEOSCIENCES↗
DOE OSTI2025

WRF-ELM v1.0: a regional climate model to study land–atmosphere interactions over heterogeneous land use regions

Abstract. The Energy Exascale Earth System Model (E3SM) Land Model (ELM) is a state-of-the-art land surface model that simulates the intricate interactions between the terrestrial land surface and other components of the Earth system. Originating from the Community Land Model (CLM) version 4.5, ELM has been under active development, with added new features and functionality, including plant hydraulics, radiation–topography interaction, subsurface multiphase flow, and more explicit land use and management practices. This study integrates ELM v2.1 with the Weather Research and Forecasting (WRF; WRF-ELM) model through a modified Lightweight Infrastructure for Land Atmosphere Coupling (LILAC) framework, enabling affordable high-resolution regional modeling by leveraging ELM's innovative features alongside WRF's diverse atmospheric parameterization options. This framework includes a top-level driver for variable communication between WRF and ELM and Earth System Modeling Framework (ESMF) caps for the WRF atmospheric component and ELM workflow control, encompassing initialization, execution, and finalization. Importantly, this LILAC–ESMF framework demonstrates a more modular approach compared to previous coupling efforts between WRF and land surface models. It maintains the integrity of ELM's source code structure and facilitates the transfer of future developments in ELM to WRF-ELM. To test the ability of the coupled model to capture land–atmosphere interactions over regions with a variety of land uses and land covers, we conducted high-resolution (4 km) WRF-ELM ensemble simulations over the Great Lakes region (GLR) in the summer of 2018 and systematically compared the results against observations, reanalysis data, and WRF-CTSM (WRF coupled with the Community Terrestrial Systems Model). In general, the coupled WRF-ELM model has reasonably captured the spatial distribution of surface state variables and fluxes across the GLR, particularly over the natural vegetation areas. The evaluation results provide a baseline reference for further improvements in ELM in the regional application of high-resolution weather and climate predictions. Our work serves as an example to the model development community for expanding an advanced land surface model's capability to represent fully-coupled land–atmosphere interactions at fine spatial scales. The development and release of WRF-ELM marks a significant advancement for the ELM user community, providing opportunities for fine-scale regional representation, parameter calibration in coupled mode, and examination of new schemes with atmospheric feedback.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Alquimia v1.0: a generic interface to biogeochemical codes – a tool for interoperable development, prototyping and benchmarking for multiphysics simulators

Alquimia v1.0 is a generic interface to geochemical solvers that facilitates development of multiphysics simulators by enabling code coupling, prototyping and benchmarking. The interface enforces the function arguments and their types for setting up, solving, serving up output data and carrying out other common auxiliary tasks while providing a set of structures for data transfer between the multiphysics code driving the simulation and the geochemical solver. Alquimia relies on a single-cell approach that permits operator splitting coupling and parallel computation. We describe the implementation in Alquimia of two widely used open-source codes that perform geochemical calculations: PFLOTRAN and CrunchFlow. We then exemplify its use for the implementation and simulation of reactive transport in porous media by two open-source flow and transport simulators: Amanzi and ParFlow. We also demonstrate its use for the simulation of coupled processes in novel multiphysics applications including the effect of multiphase flow on reaction rates at the pore scale with OpenFOAM, the role of complex biogeochemical processes in land surface models such as the E3SM Land Model (ELM) and the impact of surface–subsurface hydrological interactions on hydrogeochemical export from watersheds with the Advanced Terrestrial Simulator (ATS). These applications make it apparent that the availability of a well-defined yet flexible interface has the potential to improve the software development workflow, freeing up resources to focus on advances in process models and mechanistic understanding of coupled problems.

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

Modeling the spatiotemporal variability in subsurface thermal regimes across a low-relief polygonal tundra landscape

Vast carbon stocks stored in permafrost soils of Arctic tundra are under risk of release to the atmosphere under warming climate scenarios. Ice-wedge polygons in the low-gradient polygonal tundra create a complex mosaic of microtopographic features. This microtopography plays a critical role in regulating the fine-scale variability in thermal and hydrological regimes in the polygonal tundra landscape underlain by continuous permafrost. Modeling of thermal regimes of this sensitive ecosystem is essential for understanding the landscape behavior under the current as well as changing climate. Here, we present an end-to-end effort for high-resolution numerical modeling of thermal hydrology at real-world field sites, utilizing the best available data to characterize and parameterize the models. We also develop approaches to model the thermal hydrology of polygonal tundra and apply them at four study sites near Barrow, Alaska, spanning across low to transitional to high-centered polygons, representing a broad polygonal tundra landscape. A multiphase subsurface thermal hydrology model (PFLOTRAN) was developed and applied to study the thermal regimes at four sites. Using a high-resolution lidar digital elevation model (DEM), microtopographic features of the landscape were characterized and represented in the high-resolution model mesh. The best available soil data from field observations and literature were utilized to represent the complex heterogeneous subsurface in the numerical model. Simulation results demonstrate the ability of the developed modeling approach to capture – without recourse to model calibration – several aspects of the complex thermal regimes across the sites, and provide insights into the critical role of polygonal tundra microtopography in regulating the thermal dynamics of the carbon-rich permafrost soils. Moreover, areas of significant disagreement between model results and observations highlight the importance of field-based observations of soil thermal and hydraulic properties for modeling-based studies of permafrost thermal dynamics, and provide motivation and guidance for future observations that will help address model and data gaps affecting our current understanding of the system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Transfer learning of neural surrogates on multifidelity groundwater simulations

Multifidelity data used in the paper published in Advances in Water Resources 206 (2025) 105140, https://doi.org/10.1016/j.advwatres.2025.105140 The code used to process the data is openly available on GitHub at https://github.com/Model-Reduction-and-UQ-Group/Transfer_Learning_K_reconstruction Computationally inexpensive surrogates of process-based models, such as deep neural networks, enable ensemble-based computations used in risk assessment, data assimilation, etc. However, generation of large datasets required to train a neural network can be as expensive as the ensemble simulations themselves. We ameliorate this challenge by using data from multifidelity (MF) groundwater simulations and transfer learning (TL) to reduce data generation costs while maintaining model accuracy. As a computational example, we train a deep convolutional neural network (CNN) to reconstruct permeability fields from saturation maps derived from a multiphase flow model. Starting with very low- and low-fidelity data generated on increasingly coarse meshes, we pretrain the CNN, followed by output-layer training and fine-tuning using only a limited number of high-fidelity samples. We demonstrate the surrogate’s robustness when interpreting low-quality inputs—such as interpolated maps or data affected by noise—which has strong implications for the applicability in practical hydrogeological scenarios. This multilevel MF-TL strategy achieves a favorable trade-off between computational efficiency and predictive accuracy, significantly outperforming high-fidelity-only approaches under the same computational budget.

Chiofalo, Alessia [University of Bologna] (ORCID:0↗
NASA NTRS1966

Computer program determines chemical composition of physical system at equilibrium

FORTRAN 4 digital computer program calculates equilibrium composition of complex, multiphase chemical systems. This is a free energy minimization method with solution of the problem reduced to mathematical operations, without concern for the chemistry involved. Also certain thermodynamic properties are determined as byproducts of the main calculations.

Kwong, S. S.↗
NASA NTRS1971

Stress corrosion cracking of several high strength ferrous and nickel alloys

The stress corrosion cracking resistance of several high strength ferrous and nickel base alloys has been determined in a sodium chloride solution. Results indicate that under these test conditions Multiphase MP35N, Unitemp L605, Inconel 718, Carpenter 20Cb and 20Cb-3 are highly resistant to stress corrosion cracking. AISI 410 and 431 stainless steels, 18 Ni maraging steel (250 grade) and AISI 4130 steel are susceptible to stress corrosion cracking under some conditions.

Nelson, E. E.↗
NASA NTRS1972

Research on turbojet combustor pollutant formation

The research for developing a modular computer program for describing gas-turbine combustor flow and chemical fields is reported. The status of investigations is presented for three key elements of the unified model: turbulent mixing with swirl, turbulent mixing with swirl including finite-rate kinetics, and multiphase recirculation zone analysis

Source record↗
NASA NTRS1972

Effects of additives on volume change on melting, surface tension, and viscosity of liquid aluminum oxide

The effects of various oxide additives on the volume change on melting, the surface tension, and the viscosity of liquid Al2O3 were studied. Additives of Sm2O3, MgO, and Y2O3 which form solid solutions, compounds, and multiphase solids with Al2O3 were studied. A review of the property data for Al2O3 and Al2O3 containing oxide additives is presented. Oxide additives to Al2O3 reduce the volume change on melting and with the exception of SiO2 lower the viscosity; surface tensions change with oxide additives, but changes vary with different container material. Viscosity and volume change on melting appeared to be significantly more important for studying the properties of liquid oxides than surface tension. Supercooling of 270 K of yttrium aluminum garnet was observed.

Bates, J. L.↗
NASA NTRS1969

Experience factors in performing periodic physical evaluations

The lack of scientific basis in the so-called periodic health examinations on military personnel inclusive of the Executive Health Program is outlined. This latter program can well represent a management tool of the company involved in addition to being a status symbol. A multiphasic screening technique is proposed in conjunction with an automated medical history questionnaire for preventive occupational medicine methodology. The need to collate early sickness consultation or clinic visit histories with screening techniques is emphasized.

Hoffman, A. A.↗