Results for “coupling coefficient” — Page 80

NASA NTRSDate not supplied

Material Characterization and Modeling of Room Temperature Vulcanizing Silicone

Room Temperature Vulcanizing silicone (RTV) is a high-temperature adhesive that has successfully been used as a gap-filler between Thermal Protection System (TPS) tiles for heatshields on numerous missions. It is also used to bond instrumentation plugs such as temperature and pressure sensors into the heatshields. While RTV has been traditionally assumed to be a non-porous and non-ablating material, numerous experiments have shown that RTV pyrolyzes and becomes highly porous as it is heated. Heating RTV has also shown swelling, or intumescence, which can pose unique problems that lead to roughness induced boundary-layer transition, surface oxide formation and contamination of heat shield sensors. Therefore, it is crucial to understand and model the intumescence phenomenon of RTV. As data for RTV material properties is limited, the first step in modeling RTV is to collect material properties such as pyrolysis mass-loss, microstructure change, virgin and char porosity, etc. which was performed in our initial study. Additionally, thermomechanical properties such as Young’s modulus and Poisson ratio are required for modeling the intumescence of RTV, which were taken from literature and the coefficient of thermal expansion was collected using in-situ heating and Micro Computed Tomography (µ-CT) in previous studies. Finally, numerous other properties such as pyrolysis gas properties, virgin and char thermal conductivity and specific heat were compiled from previous experiments and literature into a material database that can be used for simulations. In Porous Material Analysis Toolbox based on OpenFOAM (PATO) [4], structural mechanics coupled with material response was used for simulating the intumescence of RTV as it is heated. However, since the permeability of the material is very low, the pyrolysis gas creates an internal pressure build-up as the material is being heated, significantly contributing to the deformation of the material. To correctly characterize this phenomenon, additional physics models were implemented into PATO's stress analysis solver, and results were compared with RTV dilatometry test data as a preliminary verification case. Future work will include experiments of RTV at the Plasmatron X facility and the in-situ heating cell with µ-CT, and improvement of simulation tools to more accurately model RTV intumescence.

TPS↗

NASA NTRSDate not supplied

Material Properties and Modeling of Room Temperature Vulcanizing Silicone

Room Temperature Vulcanizing silicone (RTV) is a high-temperature adhesive that has successfully been used as a gap-filler between Thermal Protection System (TPS) tiles for heatshields on numerous missions. It is also used to bond instrumentation plugs such as temperature and pressure sensors into the heatshields. While RTV has been traditionally assumed to be a non-porous and non-ablating material, numerous experiments have shown that RTV pyrolyzes and becomes highly porous as it is heated. Heating RTV has also shown swelling, or intumescence, which can pose unique problems that lead to roughness induced boundary-layer transition, surface oxide formation and contamination of heat shield sensors. Therefore, it is crucial to understand and model the intumescence phenomenon of RTV. As data for RTV material properties is limited, the first step in modeling RTV is to collect material properties such as pyrolysis mass-loss, microstructure change, virgin and char porosity, etc. which was performed in our initial study. Additionally, thermomechanical properties such as Young’s modulus and Poisson ratio are required for modeling the intumescence of RTV, which were taken from literature and the coefficient of thermal expansion was collected using in-situ heating and Micro Computed Tomography (µ-CT) in previous studies. Finally, numerous other properties such as pyrolysis gas properties, virgin and char thermal conductivity and specific heat were compiled from previous experiments and literature into a material database that can be used for simulations. In Porous Material Analysis Toolbox based on OpenFOAM (PATO) [4], structural mechanics coupled with material response was used for simulating the intumescence of RTV as it is heated. However, since the permeability of the material is very low, the pyrolysis gas creates an internal pressure build-up as the material is being heated, significantly contributing to the deformation of the material. To correctly characterize this phenomenon, additional physics models were implemented into PATO's stress analysis solver, and results were compared with RTV dilatometry test data as a preliminary verification case. Future work will include experiments of RTV at the Plasmatron X facility and the in-situ heating cell with µ-CT, and improvement of simulation tools to more accurately model RTV intumescence.

PATO↗

DOE OSTI2024

High-throughput approach for investigating interdiffusion in medium- and high-entropy alloys

Interdiffusion experiments are usually time-consuming and tedious since diffusion couples must be annealed at several temperatures for a long time. The efforts required to study interdiffusion in multicomponent alloys increase dramatically as multiple diffusion couples are required to cover broad composition ranges and determine the diffusivities of individual elements in different chemical environments. To circumvent this challenge, we present a high-throughput approach applicable to single-phase and compositionally complex alloys, which are assumed to approximate ideal solid solutions. Here, a simple diffusion-multiple experiment combined with a physically based kinetic model is proposed to efficiently determine the diffusion coefficients of the constituent elements in quaternary CrFeCoNi alloys. Compared with tracer diffusivities reported in the literature, the results, thus, obtained do not differ by more than a factor of 2 and were obtained from a single interdiffusion experiment. In contrast, the diffusivities simulated with commercial mobility and thermodynamic databases are strongly overestimated by a factor ranging from 1 to 16. Therefore, our approach enables high-throughput determination of diffusivities and can help in the design of alloys for high-temperature applications where diffusion plays a key role.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Global Simulations of the Inner Regions of Protoplanetary Disks with Comprehensive Disk Microphysics

The gas dynamics of weakly ionized protoplanetary disks (PPDs) are largely governed by the coupling between gas and magnetic fields, described by three non-ideal magnetohydrodynamical (MHD) effects (Ohmic, Hall, ambipolar). Previous local simulations incorporating these processes have revealed that the inner regions of PPDs are largely laminar and accompanied by wind-driven accretion. We conduct 2D axisymmetric, fully global MHD simulations of these regions (∼1–20 au), taking into account all non-ideal MHD effects, with tabulated diffusion coefficients and approximate treatment of external ionization and heating. With the net vertical field aligned with disk rotation, the Hall-shear instability strongly amplifies horizontal magnetic field, making the overall dynamics dependent on initial field configuration. Following disk formation, the disk likely relaxes into an inner zone characterized by asymmetric field configuration across the midplane, which smoothly transitions to a more symmetric outer zone. Angular momentum transport is driven by both MHD winds and laminar Maxwell stress, with both accretion and decretion flows present at different heights, and modestly asymmetric winds from the two disk sides. With anti-aligned field polarity, weakly magnetized disks settle into an asymmetric field configuration with supersonic accretion flow concentrated at one side of the disk surface, and highly asymmetric winds between the two disk sides. In all cases, the wind is magneto-thermal in nature, characterized by a mass loss rate exceeding the accretion rate. More strongly magnetized disks give more symmetric field configuration and flow structures. Deeper far-UV penetration leads to stronger and less stable outflows. Implications for observations and planet formation are also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

How Does Feedback Affect the Star Formation Histories of Galaxies?

Star formation in galaxies is regulated by the interplay of a range of processes that shape the multiphase gas in the interstellar and circumgalactic media. Using the Cosmology and Astrophysics with MachinE Learning Simulations (CAMELS) suite of cosmological simulations, we study the effects of varying feedback and cosmology on the average star formation histories (SFHs) of galaxies at z ∼ 0 across the IllustrisTNG, SIMBA, and ASTRID galaxy formation models. We find that galaxy SFHs in all three models are sensitive to changes in stellar feedback, which affect the efficiency of baryon cycling and the rates at which central black holes grow, whereas the effects of varying active galactic nucleus (AGN) feedback depend on model-specific implementations of black hole seeding, accretion, and feedback. We also find strong interaction terms that couple stellar and AGN feedback, usually by regulating the amount of gas available for the central black hole to accrete. Using a double power law to describe the average SFHs, we derive a general set of equations relating the shape of the SFHs to physical quantities like baryon fraction and black hole mass across all three models. We find that a single set of equations (albeit with different coefficients) can describe the SFHs across all three CAMELS models, with cosmology dominating the SFH at early times, followed by halo accretion, and feedback and baryon cycling at late times. Galaxy SFHs provide a novel, complementary probe to constrain cosmology and feedback, and can connect the observational constraints from current and upcoming galaxy surveys with the physical mechanisms responsible for regulating galaxy growth and quenching.

Iyer, Kartheik G. [Columbia Univ., New York, NY (U↗

NASA NTRS2003

Many-Body Effects in Quantum-Well Intersubband Transitions

Intersubband polarization couples to collective excitations of the interacting electron gas confined in a semiconductor quantum well (Qw) structure. Such excitations include correlated pair excitations (repellons) and intersubband plasmons (ISPs). The oscillator strength of intersubband transitions (ISBTs) strongly varies with QW parameters and electron density because of this coupling. We have developed a set of kinetic equations, termed the intersubband semiconductor Bloch equations (ISBEs), from density matrix theory with the Hartree-Fock approximation, that enables a consistent description of these many-body effects. Using the ISBEs for a two-conduction-subband model, various many-body effects in intersubband transitions are studied in this work. We find interesting spectral changes of intersubband absorption coefficient due to interplay of the Fermi-edge singularity, subband renormalization, intersubband plasmon oscillation, and nonparabolicity of bandstructure. Our results uncover a new perspective for ISBTs and indicate the necessity of proper many-body theoretical treatment in order for modeling and prediction of ISBT line shape.

Li, Jian-Zhong↗

DOE OSTI2017

Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu–Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid–liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu–Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying from ~0.1 to ~0.6 m s –1 . After an 'incubation' time, the velocity of the planar solid–liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Lastly, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid–liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).

36 MATERIALS SCIENCE↗

DOE OSTI2021

Non-adiabatic quantum interference in the ultracold Li + LiNa → Li 2 + Na reaction

Electronically non-adiabatic effects play an important role in many chemical reactions. However, how these effects manifest in cold and ultracold chemistry remains largely unexplored. Here for the first time we present from first principles the non-adiabatic quantum dynamics of the reactive scattering between ultracold alkali-metal LiNa molecules and Li atoms. We show that non-adiabatic dynamics induces quantum interference effects that dramatically alter the ultracold rotationally resolved reaction rate coefficients. The interference effect arises from the conical intersection between the ground and an excited electronic state that is energetically accessible even for ultracold collisions. These unique interference effects might be exploited for quantum control applications such as a quantum molecular switch. The non-adiabatic dynamics are based on full-dimensional ab initio potential energy surfaces for the two electronic states that includes the non-adiabatic couplings and an accurate treatment of the long-range interactions. A statistical analysis of rotational populations of the Li2 product reveals a Poisson distribution implying the underlying classical dynamics are chaotic. The Poisson distribution is robust and amenable to experimental verification and appears to be a universal property of ultracold reactions involving alkali metal dimers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Groundwater management of a highly dynamic karst by assessing baseflow and quickflow with a rainfall-discharge model (Dardennes springs, SE France)

This paper aims at characterizing the groundwater flow in a highly dynamic karst aquifer using a global modeling approach based on rainfall and spring discharge time series. The Dardennes aquifer (SE France) was studied as it is used for drinking water supply and it also produces karst flash floods that increase the flood hazard downstream in urban areas. Three years of data were available, including a normal rainy year, a wet year and a dry year. Modeling was performed with the new platform KarstMod, a rainfall-discharge model with calibration tools. The Dardennes aquifer model was structured with three interconnected reservoirs: Epikarst, Matrix, and Conduit. Using this modeling approach, we were able to determine the groundwater hydrograph separation of the karst spring discharge, at the annual scale and at the event scale (flood). This gives insight into the low flow (Matrix) available for the drinking water demand and the fast flow (Conduit) that generates flash floods. In such a dynamic aquifer, part of the water budget cannot be accounted for by water resources as fast flow is not stored within the aquifer and is not available for the drinking water demand. The results were compared with the current groundwater management to determine whether the withdrawal is sustainable. Depending on whether it is a wet or a dry year, the proportion of slow flow ranges from 27 to 61% of the total discharge, respectively. During floods in high water periods, the proportion of quickflow increases drastically up to more than 90% of the spring discharge. In the case of a 300 mm/d simulated Mediterranean rainfall event, the mean daily peak value may reach 74 m 3 /s. This discharge can be reduced if the aquifer is previously depleted, which increases the storage within the aquifer. Coupling the geological context and the model results opens up future perspectives for the active management of the karst aquifer.

58 GEOSCIENCES↗

DOE OSTI2017

Duality and universal transport in mixed-dimension electrodynamics

In this work, we consider a theory of a two-component Dirac fermion localized on a (2+1) dimensional brane coupled to a (3+1) dimensional bulk. Using the fermionic particle-vortex duality, we show that the theory has a strong-weak duality that maps the coupling e to $\tilde{e}$=(8π)/e. We explore the theory at e 2 =8π where it is self-dual. The electrical conductivity of the theory is a constant independent of frequency. When the system is at finite density and magnetic field at filling factor ν=$\frac{1}{2}$, the longitudinal and Hall conductivity satisfies a semicircle law, and the ratio of the longitudinal and Hall thermal electric coefficients is completely determined by the Hall angle. Lastly, the thermal Hall conductivity is directly related to the thermal electric coefficients.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Intrinsic structural instabilities of domain walls driven by gradient coupling: Meandering antiferrodistortive-ferroelectric domain walls in BiFeO 3

Using the Landau-Ginzburg-Devonshire approach, we predict the intrinsic instability of the ferroelectric-ferroelastic domain walls in the multiferroic BiFeO 3 emerging from the interplay between the gradient terms of the antiferrodistortive and ferroelectric order parameters at the walls. These instabilities are the interface analog of the structural instabilities in the vicinity of phase coexistence in the bulk, and so they do not stem from incomplete polarization screening in thin films or its spatial confinement, electrostrictive or flexoelectric coupling. The effect of BiFeO 3 material parameters on the 71°, 109°, and 180° walls is explored, and it is shown that the meandering instability appears at 109° and 180° walls for small gradient energies, and the walls become straight and broaden for higher gradients. In contrast to the 180° and 109° domain walls, uncharged 71° walls are always straight, and their width increases with increasing the tilt gradient coefficient. As a result, the wall instability and associated intrinsic meandering provide insight into the behavior of morphotropic and relaxor materials, wall pinning, and mechanisms of interactions between order parameter fields and local microstructure.

36 MATERIALS SCIENCE↗

NASA NTRS1976

A nonlinear theory of cosmic-ray pitch-angle diffusion in homogeneous magnetostatic turbulence

A plasma strong turbulence, weak coupling, theory is applied to the problem of cosmic-ray pitch-angle scattering in magnetostatic turbulence. The theory used is a rigorous generalization of Weinstock's 'resonance broadening' theory and contains no ad hoc approximations. A detailed calculation is presented for a model of 'slab' turbulence with an exponential correlation function. The results agree well with numerical simulations. The rigidity dependence of the pitch-angle scattering coefficient differs from that found by previous researchers. The differences result from an inadequate treatment of particle trajectories near 90 deg pitch angle in earlier work.

Goldstein, M. L.↗

NASA NTRS2005

An Approximate Ablative Thermal Protection System Sizing Tool for Entry System Design

A computer tool to perform entry vehicle ablative thermal protection systems sizing has been developed. Two options for calculating the thermal response are incorporated into the tool. One, an industry-standard, high-fidelity ablation and thermal response program was integrated into the tool, making use of simulated trajectory data to calculate its boundary conditions at the ablating surface. Second, an approximate method that uses heat of ablation data to estimate heat shield recession during entry has been coupled to a one-dimensional finite-difference calculation that calculates the in-depth thermal response. The in-depth solution accounts for material decomposition, but does not account for pyrolysis gas energy absorption through the material. Engineering correlations are used to estimate stagnation point convective and radiative heating as a function of time. The sizing tool calculates recovery enthalpy, wall enthalpy, surface pressure, and heat transfer coefficient. Verification of this tool is performed by comparison to past thermal protection system sizings for the Mars Pathfinder and Stardust entry systems and calculations are performed for an Apollo capsule entering the atmosphere at lunar and Mars return speeds.

Dec, John A.↗

NASA NTRS2006

An Approximate Ablative Thermal Protection System Sizing Tool for Entry System Design

A computer tool to perform entry vehicle ablative thermal protection systems sizing has been developed. Two options for calculating the thermal response are incorporated into the tool. One, an industry-standard, high-fidelity ablation and thermal response program was integrated into the tool, making use of simulated trajectory data to calculate its boundary conditions at the ablating surface. Second, an approximate method that uses heat of ablation data to estimate heat shield recession during entry has been coupled to a one-dimensional finite-difference calculation that calculates the in-depth thermal response. The in-depth solution accounts for material decomposition, but does not account for pyrolysis gas energy absorption through the material. Engineering correlations are used to estimate stagnation point convective and radiative heating as a function of time. The sizing tool calculates recovery enthalpy, wall enthalpy, surface pressure, and heat transfer coefficient. Verification of this tool is performed by comparison to past thermal protection system sizings for the Mars Pathfinder and Stardust entry systems and calculations are performed for an Apollo capsule entering the atmosphere at lunar and Mars return speeds.

Dec, John A.↗

NASA NTRS2023

Formation of the Lyman Continuum during Solar Flares

The Lyman continuum (LyC; <911.12 Å) forms at the top of the chromosphere in the quiet Sun, making LyC a powerful tool for probing the chromospheric plasma during solar flares. To understand the effects of nonthermal energy deposition in the chromosphere during flares, we analyzed LyC profiles from a grid of field-aligned radiative-hydrodynamic models generated using the RADYN code as part of the F-CHROMA project. The spectral response of LyC, the temporal evolution of the departure coefficient of hydrogen, b 1 , and the color temperature, T c , in response to a range of nonthermal electron distribution functions, were investigated. The LyC intensity was seen to increase by 4–5.5 orders of magnitude during solar flares, responding most strongly to the nonthermal electron flux of the beam. Generally, b 1 decreased from 10 2 –10 3 to closer to unity during solar flares, indicating a stronger coupling to local conditions, while T c increased from 8–9 to 10–16 kK. T c was found to be approximately equal to the electron temperature of the plasma when b1 was at a minimum. Both optically thick and optically thin components of LyC were found to be in agreement with the interpretation of recent observations. The optically thick layer forms deeper in the chromosphere during a flare compared to quiescent periods, whereas the optically thin layers form at higher altitudes due to chromospheric evaporation, in low-temperature, high-density regions propagating upward. We put these results in the context of current and future missions.

Solar flares↗

DOE OSTI2019

Development and case study of the liquid desiccant system module in sorption system simulation program (SorpSim)

Liquid desiccant systems (LDS) have recently seen an increase in research interest as they can utilize low-grade heat resources and separate the sensible and latent cooling loads by efficiently removing moisture in the air without cooling it to the dew point. Yet, simulation and analysis of LDS had remained complex and demanding due to the limited resources of LDS simulation tools. This work presents the new LDS module developed in the Sorption system Simulation program (SorpSim), which is an open-source and flexible platform for steady-state simulation and analysis of various sorption systems. First, the new LDS module containing a finite-difference model and an effectiveness-NTU model for the heat and mass transfer in LDS dehumidifier/regenerator component was introduced. Then the simulation results of the new module were verified using data from the literature. Lastly, a case study was carried out in SorpSim where an LDS cycle was built and simulated using the new module. The impacts of design and operating parameters on the simulated LDS performance were investigated. The parametric study revealed that a high source temperature improved moisture removal rate (MRR) but reduced the system coefficient of performance (COP); the COP increased monotonically with the desiccant solution recirculation ratio, while the MRR peaked at a ratio of 85%; and an internal solution heat exchanger with UA of 800 W/K was found to be sufficient for optimal performance under high recirculation ratios. The case study demonstrated the LDS module’s capability to facilitate the analysis of LDS design and operation. The LDS module can be further coupled with other component models in SorpSim to simulate and analyze various liquid-desiccant-based systems.

42 ENGINEERING↗

DOE OSTI2026

Field-tailoring quantum materials via magneto-synthesis: metastable metallic and magnetically suppressed phases in a trimer iridate

We demonstrate that applying modest magnetic fields (< 0.1 T) during high-temperature crystal growth can profoundly alter the structure and ground state of a spin-orbit-coupled, antiferromagnetic trimer lattice. Using BaIrO₃ as a model system, whose ground state is intricately dictated by the trimer lattice, we show that magneto-synthesis , a field-assisted synthesis approach, stabilizes a structurally compressed, metastable metallic and magnetically suppressed phases inaccessible via conventional methods. These effects include a 0.85% reduction in unit cell, 4-order-of-magnitude decrease in resistivity, a 10-fold enhancement of the Sommerfeld coefficient, and the collapse of long-range magnetic order -- all intrinsic and bulk in origin. First-principles calculations confirm that the field-stabilized structure lies substantially above the ground state in energy, highlighting its metastable character. These large, coherent and correlated changes across multiple bulk properties, unlike those caused by dilute impurities, defects or off-stoichiometry, point to an intrinsic field-induced mechanism. The findings establish magneto-synthesis as a powerful new pathway for accessing non-equilibrium quantum phases in strongly correlated materials.

magneto-synthesis↗

DOE OSTI2022

Numerical Modeling of Atmospheric Rime Ice Accretion on an Airfoil Using an Eulerian Approach

This paper presents an approach to numerically simulate the inherently unsteady rime ice accretion problem on a two-dimensional airfoil and elucidate the associated variations under different icing conditions. The airflow field and the water impingement on the airfoil are obtained based on an Eulerian two-phase model. A dynamic mesh strategy is employed to unsteadily account for the changes in the ice profile and its impact on the air and droplet flow by continuously reconstructing the computational grid at each time-step through smoothing and layering mechanisms. All main icing modules including the airflow field, droplet trajectory, icing thickness profile, and mesh management are fully coupled within the same computational framework without resorting to any external tools. Classical icing theory is employed to model the rime ice roughness, and it is assumed that the ice accretes in a direction normal to the airfoil surface. The governing Reynolds-averaged Navier–Stokes (RANS) conservation equations along with the energy and continuity equations are solved to produce the velocity and temperature fields. A convective film heat transfer coefficient is computed based on the surface heat flux and a recovery temperature which takes into account the dissipative heat release in the boundary layer in the vicinity of the airfoil surface. With the implemented strategy and calculating the convective heat transfer coefficient, the water film thickness is also calculated along with the ice shape. Furthermore, the model is validated by comparing the local collection efficiency distribution and ice shape with experimental data, and the results show that the implemented approach provides acceptable predictions of ice accretion profiles and rates.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗