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NASA NTRS2004

Sensitivity Equation Derivation for Transient Heat Transfer Problems

The focus of the paper is on the derivation of sensitivity equations for transient heat transfer problems modeled by different discretization processes. Two examples will be used in this study to facilitate the discussion. The first example is a coupled, transient heat transfer problem that simulates the press molding process in fabrication of composite laminates. These state equations are discretized into standard h-version finite elements and solved by a multiple step, predictor-corrector scheme. The sensitivity analysis results based upon the direct and adjoint variable approaches will be presented. The second example is a nonlinear transient heat transfer problem solved by a p-version time-discontinuous Galerkin's Method. The resulting matrix equation of the state equation is simply in the form of Ax = b, representing a single step, time marching scheme. A direct differentiation approach will be used to compute the thermal sensitivities of a sample 2D problem.

Hou, Gene↗

NASA NTRS2018

Quantifying the Effect of Mixing on the Mean Age of Air in CCMVal-2 and CCMI-1 Models

The stratospheric age of air (AoA) is a useful measure of the overall capabilities of a general circulation model (GCM) to simulate stratospheric transport. Previous studies have reported a large spread in the simulation of AoA by GCMs and coupled chemistry-climate models (CCMs). Compared to observational estimates, simulated AoA is mostly too low. Here we attempt to untangle the processes that lead to the AoA differences between the models and between models and observations. AoA is influenced by both mean transport by the residual circulation and two-way mixing; we quantify the effects of these processes using data from the CCM inter-comparison projects CCMVal-2 (Chemistry-Climate Model Validation Activity 2) and CCMI-1 (Chemistry-Climate Model Initiative, phase 1). Transport along the residual circulation is measured by the residual circulation transit time (RCTT). We interpret the difference between AoA and RCTT as additional aging by mixing. Aging by mixing thus includes mixing on both the resolved and subgrid scale. We find that the spread in AoA between the models is primarily caused by differences in the effects of mixing and only to some extent by differences in residual circulation strength. These effects are quantified by the mixing efficiency, a measure of the relative increase in AoA by mixing. The mixing efficiency varies strongly between the models from 0.24 to 1.02. We show that the mixing efficiency is not only controlled by horizontal mixing, but by vertical mixing and vertical diffusion as well. Possible causes for the differences in the models' mixing efficiencies are discussed. Differences in subgrid-scale mixing (including differences in advection schemes and model resolutions) likely contribute to the differences in mixing efficiency. However, differences in the relative contribution of resolved versus parameterized wave forcing do not appear to be related to differences in mixing efficiency or AoA.

CCMI↗

NASA NTRS2018

Satellite-Based View of the Aerosol Spatial and Temporal Variability in the Cordoba Region (Argentina) Using over Ten Years of High-Resolution Data

Space-based observations offer a unique opportunity to investigate the atmosphere and its changes over decadal time scales, particularly in regions lacking in situ and/or ground based observations. In this study, we investigate temporal and spatial variability of atmospheric particulate matter (aerosol) over the urban area of Córdoba (central Argentina) using over ten years (2003–2015) of high-resolution (1 km) satellite-based retrievals of aerosol optical depth (AOD). This fine resolution is achieved exploiting the capabilities of a recently developed inversion algorithm (Multiangle implementation of atmospheric correction, MAIAC) applied to the MODIS sensor datasets of the NASA-Terra and -Aqua platforms. Results of this investigation show a clear seasonality of AOD over the investigated area. This is found to be shaped by an intricate superposition of aerosol sources, acting over different spatial scales and affecting the region with different yearly cycles. During late winter and spring (August-October), local as well as near- and long-range transported biomass burning (BB) aerosols enhance the Córdoba aerosol load, and AOD levels reach their maximum values (>0.35 at 0.47 µm). The fine AOD spatial resolution allowed to disclose that, in this period, AOD maxima are found in the rural/agricultural area around the city, reaching up to the city boundaries pinpointing that fires of local and near-range origin play a major role in the AOD enhancement. A reverse spatial AOD gradient is found from December to March, the urban area showing AODs 40–80% higher than in the city surroundings. In fact, during summer, the columnar aerosol load over the Córdoba region is dominated by local (urban and industrial) sources, likely coupled to secondary processes driven by enhanced radiation and mixing effects within a deeper planetary boundary layer (PBL). With the support of modelled AOD data from the Modern-Era Retrospective Analysis for Research and Application (MERRA), we further investigated into the chemical nature of AOD. The results suggest that mineral dust is also an important aerosol component in Córdoba, with maximum impact from November to February. The use of a long-term dataset finally allowed a preliminary assessment of AOD trends over the Córdoba region. For those months in which local sources and secondary processes were found to dominate the AOD (December to March), we found a positive AOD trend in the Córdoba outskirts, mainly in the areas with maximum urbanization/population growth over the investigated decade. Conversely, a negative AOD trend (up to −0.1 per decade) is observed all over the rural area of Córdoba during the BB season, this being attributed to a decrease of fires both at the local and the continental scale.

aerosols↗

NASA NTRS2020

Quantification of the Land Surface and Brown Ocean Influence on Tropical Cyclone Intensification Over Land

An investigation of TC Kelvin in February 2018 over northeast Australia was conducted to understand the mechanisms of the Brown Ocean effect (BOE), and to develop a comprehensive analysis framework for land falling tropical cyclones (TCs) in the process. NASA’s Land Information System (LIS) coupled to the NASA Unified WRF (NU-WRF) system was employed as the numerical model framework for 12 land/soil moisture perturbation experiments. Impacts of soil moisture and surface enthalpy flux conditions on TC Kelvin were investigated by closely evaluating simulated track and intensity, midlevel atmospheric thermodynamic properties, vertical wind shear, total precipitable water (TPW), and surface moisture flux. The results suggest that there were recognized differentiations among the sensitivity simulations as a result of land surface (e.g., soil moisture and texture) conditions. However, the intensification of TC Kelvin over land was more strongly related to atmospheric moisture advection and the diurnal cycle of solar radiation (i.e., radiative cooling) than to overall soil moisture conditions or surface fluxes. The analysis framework employed here for TC Kelvin can serve as a foundation to specifically quantify the factors governing the BOE. It also demonstrates that the BOE is not a binary influence (i.e. all or nothing), but instead operates in a continuum from largely to minimally influential such that it could be utilized to help improve prediction of inland effects for all land falling TCs.

Jinwoong Yoo↗

NASA NTRS2020

Quantification of the Land Surface and Brown Ocean Influence on Tropical Cyclone Intensification Over Land

An investigation of TC Kelvin in February 2018 over northeast Australia was conducted to understand the mechanisms of the Brown Ocean effect (BOE), and to develop a comprehensive analysis framework for landfalling tropical cyclones (TCs) in the process. NASA’s Land Information System (LIS) coupled to the NASA Unified WRF (NU-WRF) system was employed as the numerical model framework for 12 land/soil moisture perturbation experiments. Impacts of soil moisture and surface enthalpy flux conditions on TC Kelvin were investigated by closely evaluating simulated track and intensity, midlevel atmospheric thermodynamic properties, vertical wind shear, total precipitable water (TPW), and surface moisture flux. The results suggest that there were recognized differentiations among the sensitivity simulations as a result of land surface (e.g., soil moisture and texture) conditions. However, the intensification of TC Kelvin over land was more strongly related to atmospheric moisture advection and the diurnal cycle of solar radiation (i.e., radiative cooling) than to overall soil moisture conditions or surface fluxes. The analysis framework employed here for TC Kelvin can serve as a foundation to specifically quantify the factors governing the BOE. It also demonstrates that the BOE is not a binary influence (i.e. all or nothing), but instead operates in a continuum from largely to minimally influential such that it could be utilized to help improve prediction of inland effects for all landfalling TCs.

Brown Ocean Effect↗

DOE OSTI2016

Observation of turnover of spontaneous polarization in ferroelectric layer of pentacene/poly-(vinylidene-trifluoroethylene) double-layer capacitor under photo illumination by optical second-harmonic generation measurement

The details of turnover process of spontaneous polarization and associated carrier motions in indium-tin oxide/poly-(vinylidene-trifluoroethylene)/pentacene/Au capacitor were analyzed by coupling displacement current measurement (DCM) and electric-field-induced optical second-harmonic generation (EFISHG) measurement. A model was set up from DCM results to depict the relationship between electric field in semiconductor layer and applied external voltage, proving that photo illumination effect on the spontaneous polarization process lied in variation of semiconductor conductivity. The EFISHG measurement directly and selectively probed the electric field distribution in semiconductor layer, modifying the model and revealing detailed carrier behaviors involving photo illumination effect, dipole reversal, and interfacial charging in the device. A further decrease of DCM current in the low voltage region under illumination was found as the result of illumination effect, and the result was argued based on the changing of the total capacitance of the double-layer capacitors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Effect of magneto-mechanical synergism in the process-structure correlation in Fe–C alloys: A phase-field modeling approach

Applied magnetic fields can alter phase equilibria and kinetics in steels; however, quantitatively resolving how magnetic, chemical, and elastic driving forces jointly influence the microstructure remains challenging. We develop a quantitative magneto-mechanically coupled phase-field model for the Fe–C system that couples a CALPHAD-based chemical free energy with demagnetization-field magnetostatics and microelasticity. Here, the model reproduces single- and multi-particle evolution during the α → γ inverse transformation at 1023 K under external fields up to 20 T, including ellipsoidal morphologies observed experimentally at 8 T. Chemically driven growth is isotropic; a magnetic interaction introduces an anisotropic driving force that elongates γ precipitates along the field into ellipsoids, while elastic coherency promotes faceting, yielding elongated cuboidal or “brick-like” particles under combined magneto-elastic coupling. Growth kinetics increase with C content, and decrease with field strength and misfit strain. Multi-particle simulations reveal dipolar interaction-mediated coalescence for field-parallel neighbors and ripening for field-perpendicular neighbors. Incorporating field-dependent diffusivity from experiment slows kinetics as expected; a first-principles-motivated anisotropic diffusivity correction is estimated to be small (<2%). These results establish a process-structure link for magnetically assisted heat treatments of Fe–C alloys and provide guidance for microstructure control via chemo-magneto-mechanical synergism.

Magnetic field↗

DOE OSTI2011

Unitary coupled-channels model for three-mesons decays of heavy mesons

In this study, a unitary coupled-channels model is presented for investigating the decays of heavy mesons and excited meson states into three light pseudoscalar mesons. The model accounts for the three-mesons final state interactions in the decay processes, as required by both the three-body and two-body unitarity conditions. In the absence of the Z-diagram mechanisms that are necessary consequences of the three-body unitarity, our decay amplitudes are reduced to a form similar to those used in the so-called isobar-model analysis. We apply our coupled-channels model to the three-pions decays of α 1 (1260), π 2 (1670), π 2 (2100), and D 0 mesons, and show that the Z-diagram mechanisms can contribute to the calculated Dalitz plot distributions by as much as 30% in magnitudes in the regions where f 0 (600), ρ(770), and f 2 (1270) dominate the distributions. Also, by fitting to the same Dalitz plot distributions, we demonstrate that the decay amplitudes obtained with the unitary model and the isobar model can be rather different, particularly in the phase that plays a crucial role in extracting the CKM CP-violating phase from the data of B meson decays. Our results indicate that the commonly used isobar model analysis must be extended to account for the final state interactions required by the three-body unitarity to reanalyze the three-mesons decays of heavy mesons, thereby exploring hybrid or exotic mesons, and signatures of physics beyond the standard model.

3-body unitarity↗

DOE OSTI2021

Monte Carlo Hauser-Feshbach computer code system to model nuclear reactions: YAHFC

A computer program framework, YAHFC, to model low-energy nuclear reactions is presented. The framework allows for reactions with incident particles ranging from protons/neutrons to alphas and is designed to address reactions that ultimately lead to the formation of compound nuclear systems that then decay statistically as outlined in concepts of Hauser and Feshbach. Additionally, instead of a reaction, it is also possible to model the decay of a nuclear system with an initial excitation and population. The code models nuclear decays with a Monte Carlo process that tracks the decay of each state. This allows for an exact representation of the spectra for all emitted particles in each of the final exit channels and the possibility of generating reaction data for simulation purposes. The program is interfaced with the optical model code system FRESCOX to calculate transmission coefficients as well as the effects of coupled channels and other direct excitations via the distorted wave Born approximation (DWBA). Modules are included to account for nuclear processes such as width corrections, pre-equilibrium emission, and fission. The program is controlled by a series of input commands and while a set of input parameters exists for each projectile and target, the input commands allow for complete control over each input parameter. Extensive data files are produced and a program is provided that converts YAHFC data files into nuclear data library entries in the generalized nuclear data structure (GNDS).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Modelling pulsed field magnetization of iron-based bulk superconductors

Abstract Bulk superconductors can be used as super-strength quasi-permanent magnets capable of providing magnetic flux densities considerably superior to conventional permanent magnets. This makes them attractive for several engineering applications that rely on strong magnetic fields like rotating machines, NMR/MRI and magnetic drug delivery systems. Recently, the authors reported a record trapped magnetic field in an iron-based bulk superconductor: 2.83 T was trapped in potassium-doped barium iron arsenide (Ba, K)Fe 2 As 2 (or Ba122) at 5 K. Of particular significance is that the strength and temporal stability of this magnetic field exceeds the requirements of MRI machines, indicating iron-based bulks can now perform at levels demanded by engineering applications. One crucial challenge for their practical use, however, is the need to apply and remove an external magnetic field to magnetize them. Pulsed field magnetization (PFM) shows great promise as a practical method of magnetizing bulks, but the process generates heat in the bulk that is detrimental to its superconducting performance and ability to act as a super-strength magnet. In this paper, coupled electromagnetic–thermal numerical models are used to simulate the PFM of iron-based bulk superconductors. Here we focus on the recent-record-breaking, fine-grain polycrystalline K-doped Ba122 bulks. The impact that the specific J c ( B ) characteristics and thermal properties of the Ba122 material—all of which have been experimentally measured from state-of-the-art samples—have on the magnetic flux dynamics and thermal behaviour during PFM, including the final trapped field, is investigated. We show that because the thermal properties are similar to those of REBa 2 Cu 3 O 7 −δ bulks, a similar response to pulsed fields is obtained. A maximum trapped field of ∼0.81 T (∼43.3% of the maximum trapped field capability under ideal, field-cooling conditions) was simulated at 5 K, with a magnetization efficiency of ∼54%. The modelling framework provides a fast and flexible tool for optimising the practical PFM process at different operating temperatures to maximise the trapped field in state-of-the-art Ba122 bulks and to guide the design of future experiments.

bulk superconductors↗

DOE OSTI2025

Implementation and Evaluation of Emission‐Driven Land‐Atmosphere Coupled Simulation in E3SMv2.1

Emissions-driven (prognostic CO 2 ) simulations are essential for representing two-way carbon-climate feedback in Earth System Models. We present an emissions-driven land–atmosphere coupled biogeochemistry (BGC) configuration (BGCLNDATM_progCO2) in version 2.1 of the Energy Exascale Earth System Model (E3SMv2.1). This is the first E3SM configuration that performs land-atmosphere emission-hindcasts. Here, we document its implementation, evaluate the model's performance against observations and other models, and propose a structured evaluation protocol for such emissions-driven simulations. We conducted transient historical simulations (1850–2014) with BGCLNDATM_progCO2 and compare them to reference simulations—a land-atmosphere coupled simulation without BGC and a standalone land simulation with BGC, both using prescribed CO 2 concentrations—and to observations. BGCLNDATM_progCO2 overestimates atmospheric CO 2 concentrations by 11–23 ppm yet stays within the 40-ppm spread CMIP6 emission-driven models and retains physical climate properties comparable to the reference runs. The CO 2 biases are partly attributed to underrepresented oceanic CO 2 uptake and inadequate representations of some terrestrial processes. In general, introducing prognostic CO 2 did not change physical climate metrics at the global scale but had larger regional effects, particularly over land where spatially heterogeneous CO 2 and prognostic leaf area index influenced surface energy balance. Finally, we propose a general evaluation protocol including spin-up assessment, atmospheric CO 2 benchmarking, physical climate evaluation, and land biogeochemical analysis to support scientific rigor and facilitate inter-model comparisons. The new configuration lays the groundwork for future enhancements, including improved terrestrial biogeochemical processes, integrated marine biogeochemistry, and additional human–Earth system interactions. These developments advance E3SM toward fully coupled emissions-driven simulations, enabling more accurate carbon–climate feedback projections and informing mitigation policy by providing physically consistent carbon-budget metrics for mitigation scenarios.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2018

Planetary Crater Detection and Registration Using Marked Point Processes, Multiple Birth and Death Algorithms, and Region-Based Analysis

Because of the large variety of sensors and spacecraft collecting data, planetary science needs to integrate various multi-sensor and multi-temporal images. These multiple data represent a precious asset, as they allow the study of targets spectral responses and of changes in the surface structure; because of their variety, they also require accurate and robust registration. A new crater detection algorithm, used to extract features that will be integrated in an image registration framework, is presented. A marked point process-based method has been developed to model the spatial distribution of elliptical objects (i.e. the craters) and a birth-death Markov chain Monte Carlo method, coupled with a region-based scheme aiming at computational efficiency, is used to find the optimal configuration fitting the image. The extracted features are exploited, together with a newly defined fitness function based on a modified Hausdorff distance, by an image registration algorithm whose architecture has been designed to minimize the computational time.

Image Processing:Pattern Recognition↗

DOE OSTI2018

Pore scale study of multiphase multicomponent reactive transport during CO 2 dissolution trapping

Solubility trapping is crucial for permanent CO 2 sequestration in deep saline aquifers. For the first time, a pore-scale numerical method is developed to investigate coupled scCO 2 -water two-phase flow, multicomponent (CO 2 (aq), H + , HCO 3 – , CO 3 2 – and OH – ) mass transport, heterogeneous interfacial dissolution reaction, and homogeneous dissociation reactions. Pore-scale details of evolutions of multiphase distributions and concentration fields are presented and discussed. Time evolutions of several variables including averaged CO 2 (aq) concentration, scCO 2 saturation, and pH value are analyzed. Specific interfacial length, an important variable which cannot be determined but is required by continuum models, is investigated in detail. Mass transport coefficient or efficient dissolution rate is also evaluated. The pore-scale results show strong non-equilibrium characteristics during solubility trapping due to non-uniform distributions of multiphase as well as slow mass transport process. Complicated coupling mechanisms between multiphase flow, mass transport and chemical reactions are also revealed. Lastly, effects of wettability are also studied. The pore-scale studies provide deep understanding of non-linear non-equilibrium multiple physicochemical processes during CO 2 solubility trapping processes, and also allow to quantitatively predict some important empirical relationships, such as saturation-interfacial surface area, for continuum models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

The Optical Signatures of Stochastic Processes in Many-Body Exciton Scattering

We review our recent quantum stochastic model for spectroscopic lineshapes in the presence of a coevolving and nonstationary background population of excitations. Starting from a field theory description for interacting bosonic excitons, we derive a reduced model whereby optical excitons are coupled to an incoherent background via scattering as mediated by their screened Coulomb coupling. The Heisenberg equations of motion for the optical excitons are then driven by an auxiliary stochastic population variable, which we take to be the solution of an Ornstein–Uhlenbeck process. Here, we present an overview of the theoretical techniques we have developed as applied to predicting coherent nonlinear spectroscopic signals. We show how direct (Coulomb) and exchange coupling to the bath give rise to distinct spectral signatures and discuss mathematical limits on inverting spectral signatures to extract the background density of states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Coupling Warm Rain With an Eddy Diffusivity/Mass Flux Parameterization: 1. Model Description and Validation

A new version of the stochastic multiplume Jet Propulsion Laboratory Eddy-Diffusivity/Mass-Flux (JPL-EDMF) parameterization which consistently couples the simplified Khairoutdinov and Kogan (2000), https://doi.org/10.1175/1520-0493(2000)128<0229:ANCPPI>2.0.CO;2, warm phase cloud microphysical parameterization with the parameterization of cloud macrophysical and subgrid scale dynamical processes is described. The new parameterization combines the EDMF approach with an assumed shape of a joint probability density function of thermodynamic and kinematic variables which provide the basis for the computation of all parameterized processes. As far as we are aware this is the first attempt to consistently couple all of these parameterized processes in the EDMF framework. This paper is part one of a two paper series. Here, the JPL-EDMF parameterization is described and benchmark simulations of precipitating stratocumulus and cumulus convection are performed in a single-column-model framework. The parameterization results compare favorably to the reference large-eddy-simulation results. In the second part (Smalley et al., 2022, https://doi.org/10.1029/2021MS002729) the JPL-EDMF parameterization is validated for a wide range of observation-based scenarios covering the continuous transition from subtropical stratocumulus to cumulus convection derived from global reanalysis, and parameterization uncertainties are studied in detail.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2012

Heating dynamics of CO{sub 2}-laser irradiated silica particles with evaporative shrinking: Measurements and modeling

The heating dynamics of CO{sub 2}-laser heated micron-sized particles were determined for temperatures <3500 K measured using infrared imaging. A coupled mass and energy conservation model is derived to predict single particle temperatures and sizes, which were compared with data from particles deposited on non-absorbing substrates to assess the relevant heat transfer processes. Analysis reveals substrate conduction dominates all other heat losses, while laser absorption determined from Mie theory is strongly modulated by particle evaporative shrinking. This study provides insights into the light coupling and heating of particle arrays where the material optical properties are temperature-dependent and particle size changes are significant.

36 MATERIALS SCIENCE↗

NASA NTRS2017

Planetary Crater Detection and Registration Using Marked Point Processes, Multiple Birth and Death Algorithms, and Region-Based Analysis

Image Processing; Pattern Recognition↗

DOE OSTI2023

Thermomechanical Modeling of Copper

The plastic deformation of metals is a dissipative process. Some fraction of the plastic work is converted to heat which, given the temperature dependent response of metals, produces a thermal-mechanical coupling. In various cases, for instance when the loading is dynamic, this interaction can impact the resulting response of a material and/or system. Thus, appropriately capturing the heat generation from plastic work is necessary for various solid mechanics analysis. Determination of the fraction of work converted to heat has been long studied. Recent developments have demonstrated that the fraction is not constant but depends on various state variables. Resolving these features requires combined modeling and experimental studies. To this end, 304L stainless steel – a poor thermal conductor – was recently subjected to such an investigation. Advanced modeling capabilities were deployed to assess novel thermomechanically coupled experiments. As a complement to that study, in the current work a similar investigation is performed on copper – a good thermal conductor – to assess performance on the opposite end of the spectrum. The current document discusses these modeling efforts.

36 MATERIALS SCIENCE↗