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Results for “Mass diffusivity”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Pit rim decomposition into multiple quantum dots on surfaces of epitaxial thin films grown on pit-patterned substrates

Here, we report results of dynamical simulations according to an experimentally validated surface morphological evolution model on the formation of regular arrays of quantum dot molecules (QDMs) consisting of 1D arrays of smaller interacting quantum dots (QDs). These QD arrays form along the sides of each pit rim on the surface of a coherently strained thin film epitaxially deposited on a semiconductor substrate, the surface of which consists of a periodic pattern of inverted prismatic pits with rectangular pit openings. We find that this complex QDM pattern results from the decomposition of the pit rim from a “quantum fortress” with four elongated QDs into four 1D arrays of multiple smaller QDs arranged along each side of the pit rim. Systematic parametric analysis indicates that varying the pit opening dimensions and the pit wall inclination directly impacts the number of QDs in the resulting QDM pattern, while varying the pit depth only affects the dimensions of the QDs in the nanostructure pattern. Therefore, the number, arrangement, and sizes of QDs in the resulting pattern of QDMs on the film surface can be engineered precisely by proper tuning of the pit design parameters. Our simulation results are supported by predictions of morphological stability analysis, which explains the pit rim decomposition into multiple QDs as the outcome of a tip-splitting instability and provides a fundamental characterization of the post-instability nanostructure pattern. Our theoretical findings can play a vital role in designing optimal semiconductor surface patterns toward enabling future nanofabrication technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Fluid modeling of low-temperature plasmas

Fluid models are essential for understanding and predicting low-temperature plasma (LTP) behavior in various scientific and industrial settings. This paper provides an introductory tutorial on fluid modeling of LTPs, covering model formulation, implementation, and computational simulations. The tutorial focuses on five main components of the formulation of LTP fluid models: fluid flow, energy, chemistry, electromagnetism, and material properties, as well as in essential aspects of model implementations, including multiscale phenomena, multiphysics coupling, and numerical convergence. Designed for students and early-career researchers, this work offers a practical foundation for developing and using fluid models, from in-house computational codes to commercial software, bridging fundamental theory with real-world applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Decoherence and Brownian motion of a polarizable particle near a medium

Optically levitated nanoparticles are ideal experimental testbeds for investigating macroscopic superpositions and microscopic thermodynamics. Integrating such levitated nanoparticles with photonic structures can enable strong coupling between their center-of-mass motion and guided photonic modes, facilitating enhanced control and probing of their motion. When coupling a particle to a photonic structure, such as a waveguide, the effects of fluctuations become prominent at nanoscales. In this work, we analyze the classical and quantized center-of-mass motion of a polarizable particle interacting with the fluctuations of the electromagnetic field in the presence of a medium. We derive a position localization master equation for the particle's quantized center of mass, and examine its classical center-of-mass momentum diffusion, elucidating correspondences between classical and quantum Brownian motion of polarizable particles near media. We study the decoherence rate of the particle in the presence of a planar surface as a function of temperature and distance from the surface, comparing it to common sources of decoherence. Our results are pertinent to experiments aimed at preparing levitated nanospheres in macroscopic quantum states and investigating their Brownian dynamics.

Brownian motion↗
DOE OSTI2022

The Influence of Shallow Cloud Populations on Transitions to Deep Convection in the Amazon

Abstract In this study, a pair of convection-permitting (2-km grid spacing), month-long, wet-season Weather Research and Forecasting (WRF) Model simulations with and without the eddy-diffusivity mass-flux (EDMF) scheme are performed for a portion of the Green Ocean Amazon (GoAmazon) 2014/15 field campaign period. EDMF produces an ensemble of subgrid-scale convective plumes that evolve in response to the boundary layer meteorological conditions and can develop into shallow clouds. The objective of this study is to determine how different treatments of shallow cumulus clouds (i.e., with and without EDMF) impact the total cloud population and precipitation across the Amazonian rain forest, with emphasis on impacts on the likelihood of shallow-to-deep convection transitions. Results indicate that the large-scale synoptic conditions in the EDMF and control simulations are nearly identical; however, on the local scale their rainfall patterns diverge drastically and the biases decrease in EDMF. The EDMF scheme significantly increases the frequency of shallow clouds, but the frequencies of deep clouds are similar between the simulations. Deep convective clouds are tracked using a cloud-tracking algorithm to examine the impact of shallow cumulus on the surrounding ambient environment where deep convective clouds initiate. Results suggest that a rapid increase of low-level cloudiness acts to cool and moisten the low to midtroposphere during the day, favoring the transition to deep convection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Diagnosing Near-Surface Model Errors with Candidate Physics Parameterization Schemes for the Multiphysics Rapid Refresh Forecast System (RRFS) Ensemble during Winter over the Northeastern United States and Southern Great Plains

Abstract During the winter of 2020/21 an ensemble of FV3-LAM forecasts was produced over the contiguous United States for the Winter Weather Experiment using five physics suites. These forecasts are evaluated with the goal of optimizing physics parameterizations within the future operational Rapid Refresh Forecast System (RRFS) in the Unified Forecast System (UFS) realm and for selecting suitable physics suites for a multiphysics RRFS ensemble. The five physics suites have different combinations of land surface models (LSMs), planetary boundary layer (PBL) parameterizations, and surface layer schemes, chosen from those used in current and possible future operational systems and likely to be supported in the operational UFS. Full-season evaluation reveals a persistent near-surface cold bias in the U.S. Northeast from one suite and a nighttime warm bias in the southern Great Plains in another suite, while other suites have smaller biases. A representative case is chosen to diagnose the cause for each of these biases using sensitivity simulations with different physics combinations or modified parameters and verified with additional mesonet observations. The cold bias in the Northeast is attributed to aspects of the Noah-MP LSM over snow cover, where Noah-MP simulates lower soil water content, and thus lower thermal conductivity than other LSMs, leading to less upward ground heat flux during nighttime and consequently lower surface temperature. The nighttime warm bias found in the southern Great Plains is attributed to overestimation of vertical mixing in the K -profile-based eddy-diffusivity mass-flux (K-EDMF) PBL scheme and insufficient land–atmospheric coupling from the GFS surface layer scheme over short vegetation. A few key parameters driving these systematic biases are identified.

Meteorology & Atmospheric Sciences↗
DOE OSTI2024

Large eddy simulation of a supersonic lifted hydrogen flame: Impacts of Lewis, turbulent Schmidt and Prandtl numbers

Parametric large eddy simulations (LES) of a supersonic lifted hydrogen flame are reported. The emphases are on two aspects: impacts of (1) Lewis number (Lei of the ith species) and (2) turbulent Schmidt and Prandtl numbers (⁠Sc t and Pr t ⁠) on supersonic turbulent flame and flow structures. Five cases are considered: species-specific Le i , Sc t = Sr t = 1.0 (C 0 ); unity Le i , Sc t = Pr t = 1.0 (C 1 ); species-specific Sc t = 0.5, Pr t = 1.0 (C 2 ); species-specific Le i , Sc t = 1.0, Pr t = 0.5 (C 3 ); and species-specific Le i , Sc t = Pr t = 0.5 (C 4 ). Numerical results of instantaneous and/or time-averaged species mole fractions, mixture fraction, heat release rate, flame base location, and mixed modes of premixed and diffusion combustion are compared between cases C 0 and C 1 . Differences in auto-ignition locations and strengths and flame structures and stabilization specify the impacts of Lewis number. They are triggered by different predictions of species mass and thermal diffusions at fuel-coflow and/or coflow-ambient air mixing layers. These differences are rationalized by a scale analysis of mass/thermal diffusion and convection for case C 0 , which suggests the relatively low but non-negligible former against the latter. Cases C 0 and C 2 –C 4 barely see differences in terms of instantaneous and/or time-averaged temperature, velocity, and mixed combustion modes except for further downstream areas where combustion occurs. Both Sc t and Pr t impose less significant influences than Lewis number, as sub-grid scale mass/thermal diffusion is subordinate to its resolved counterpart according to their scale analysis for case C 4 .

42 ENGINEERING↗
DOE OSTI2021

Influence of Ink Formulation and Drying Conditions on Ionomer Distribution in High-Performance Roll-to-Roll-Coated Gas-Diffusion Electrodes

To enable mass production of fuel cell membrane electrode assemblies (MEAs) catalyst layers production will require continuous roll-to-roll (R2R) coating processes. Gas diffusion electrodes (GDEs) are advantageous for mass production because the catalyst layer can be directely coated on the microporous layer of the gas diffusion media without the need for a decal-transfer process. It is known that the water-to-alcohol ratio in the catalyst ink influences the interactions of the ionomer with the catalyst leading to different distributions of ionomer in spray-coated catalyst layers. It is also known that during drying of colloidal mixtures, like fuel cell inks, factors such as drying rate, particle size, and agglomeration influence how the materials distribute themselves throughout the thickness of the dired film. Thus far there have only been limited studies to understand how process conditions such as ink formulation and drying temperature influence the distribution of ionomer and catalyst coated using scalable methods. This understanding is especially important for GDEs since it is known that having a sufficient amount of ionomer at the catalyst layer-membrane interface is critical for high performance. In this study we have focused on determining how the ratio of water to 1-propanol in the catalyst ink ink and drying temperature influence the distribution of ionomer throughout the thickness of the catalyst layer. Using a combination of Kelvin probe and x-ray photoelectron spectroscopy we show that an ionomer-rich surface is promoted by a higher drying rate and a water-rich catalyst ink. In contrast, a 1-propanol catalyst ink leads to a lower concentration of ionomer on the top surface. Using x-ray computed tomography, we are able to characterize the ionomer distribution throughout the thickness of the layer. We find that, in addition to promoting an ionomer-rich top surface, water-rich inks lead to a more homogenous distribution of ionomer, whereas a 1-propanol-rich ink leads to a more irregular distribution. It is found that MEA performance is improved by selecting conditions and ink formulations that promote ionomer enrichment at the top surface to facilitate a good interface with the membrane. MEAs prepared with a 75 wt% water catalyst ink with a 0.9 I/C have equivalent performance to spray-coated GDEs. Critically, these R2R-coated GDEs do not need an additional ionomer overlayer like the spray-coated GDEs do, reducing the number of processing steps in a manufacturing setting. This work shows that with the appropriate selection of materials, ink formulation, and processing conditions gas-diffusion electrodes are a viable pathway for fuel cell manufacturing.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗
DOE OSTI2022

Influence of the Soret effect on binary-species boundary layers at high pressure

Direct numerical simulations of binary-species temporal boundary layers at high pressure are performed. The main objective is to investigate the influence of the Soret effect on flow physics of binary-species boundary layers where the fluid has a uniform composition. The working fluid is a mixture of 25 % methane and 75 % nitrogen in mass fraction. Although the fluid composition is uniform at the initial condition, the mass fraction of methane increases near the wall when the wall temperature is hotter than the free stream temperature, whereas it decreases when the wall temperature is colder. The non-uniform mass fraction indicates that the uphill diffusion occurs near the wall. Investigation of fluctuations of the mass fraction reveals that the mass fraction fluctuates in the whole boundary layer, indicating that the uphill diffusion occurs even far from the wall. Examination of the species-mass diffusion balance for mean flow fields clarified that the Soret effect flux becomes large near the wall, and the large flux causes the non-uniform profile of the mass fraction near the wall.

Binary Diffusion Coefficient↗
DOE OSTI2023

Mass transfer in catalytic depolymerization: External effectiveness factors and serendipitous processivity in stagnant and stirred melts

Several heterogeneous catalysts are being developed to recycle plastics. Most operate in viscous polymer melts, where external mass transfer effects could limit the supply of co-reactants to active sites. External mass transfer can also impede the diffusion of long chain products away from the catalyst after each cut. Product egress limitations could potentially confer unintentional processivity to catalyst operation, i.e. a tendency for the catalyst to repeatedly cut the same chain after an initial encounter. We formulate reaction–diffusion equations to quantify mass transfer effects on the co-reactant transport to the catalyst and the degree of serendipitous processivity. Results are developed for catalysts in stagnant or stirred melts, with simple expressions involving Damkohler, Peclet, and Sherwood numbers, i.e. dimensionless combinations of rate constants, catalyst particle size, polymer diffusivities, and shear rates (where applicable). In conclusion, we estimate the impact of these effects for a spherical core–shell catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Heavy Quark Diffusion from 2+1 Flavor Lattice QCD with 320 MeV Pion Mass

We present the first calculations of the heavy flavor diffusion coefficient using lattice QCD with light dynamical quarks corresponding to a pion mass of around 320 MeV. For temperatures 195 MeV< 𝑇 <352 MeV, the heavy quark spatial diffusion coefficient is found to be significantly smaller than previous quenched lattice QCD and recent phenomenological estimates. The result implies very fast hydrodynamization of heavy quarks in the quark-gluon plasma created during ultrarelativistic heavy-ion collision experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Mass accommodation and gas–particle partitioning in secondary organic aerosols: dependence on diffusivity, volatility, particle-phase reactions, and penetration depth

Abstract. Mass accommodation is an essential process for gas–particle partitioning of organic compounds in secondary organic aerosols (SOA). The mass accommodation coefficient is commonly described as the probability of a gas molecule colliding with the surface to enter the particle phase. It is often applied, however, without specifying if and how deep a molecule has to penetrate beneath the surface to be regarded as being incorporated into the condensed phase (adsorption vs. absorption). While this aspect is usually not critical for liquid particles with rapid surface–bulk exchange, it can be important for viscous semi-solid or glassy solid particles to distinguish and resolve the kinetics of accommodation at the surface, transfer across the gas–particle interface, and further transport into the particle bulk. For this purpose, we introduce a novel parameter: an effective mass accommodation coefficient αeff that depends on penetration depth and is a function of surface accommodation coefficient, volatility, bulk diffusivity, and particle-phase reaction rate coefficient. Application of αeff in the traditional Fuchs–Sutugin approximation of mass-transport kinetics at the gas–particle interface yields SOA partitioning results that are consistent with a detailed kinetic multilayer model (kinetic multilayer model of gas–particle interactions in aerosols and clouds, KM-GAP; Shiraiwa et al., 2012) and two-film model solutions (Model for Simulating Aerosol Interactions and Chemistry, MOSAIC; Zaveri et al., 2014) but deviate substantially from earlier modeling approaches not considering the influence of penetration depth and related parameters. For highly viscous or semi-solid particles, we show that the effective mass accommodation coefficient remains similar to the surface accommodation coefficient in the case of low-volatility compounds, whereas it can decrease by several orders of magnitude in the case of semi-volatile compounds. Such effects can explain apparent inconsistencies between earlier studies deriving mass accommodation coefficients from experimental data or from molecular dynamics simulations. Our findings challenge the approach of traditional SOA models using the Fuchs–Sutugin approximation of mass transfer kinetics with a fixed mass accommodation coefficient, regardless of particle phase state and penetration depth. The effective mass accommodation coefficient introduced in this study provides an efficient new way of accounting for the influence of volatility, diffusivity, and particle-phase reactions on SOA partitioning in process models as well as in regional and global air quality models. While kinetic limitations may not be critical for partitioning into liquid SOA particles in the planetary boundary layer (PBL), the effects are likely important for amorphous semi-solid or glassy SOA in the free and upper troposphere (FT–UT) as well as in the PBL at low relative humidity and low temperature.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Pore connectivity influences mass transport in natural rocks: Pore structure, gas diffusion and batch sorption studies

For this work, six rocks (one granodiorite, one limestone, two chalks, one mudstone, and one dolostone) with different extents of heterogeneity at six different particle sizes (from 75 to 8000 μm) were studied to describe the effects of pore connectivity on mass transport. The methods applied were (i) porosity measurement of granular rocks, (ii) analyses of gas-phase diffusive transport in a bed of packed particles, along with a solid quartz method at these six particle sizes being developed to identify the contribution of intraparticle diffusion, and (iii) batch sorption tests of multiple ions (anions and cations) with subsequent analyses of inductively coupled plasma-mass spectrometry. Granular porosity measurement results reveal that with decreasing particle sizes, the effective porosities for the “heterogenous” group of rocks (Grimsel granodiorite and Edwards limestone) increase, whereas the porosities of another “homogeneous” group (two Israel chalk samples, Japan mudstone, and Wyoming dolostone) remain constant. Gas diffusion results show that the intraparticle gas diffusion coefficient among these two sample groups, varying in the magnitude of 10 -8 to 10 -6 m 2 /s, are not directly correlated to the porosity differences. Moreover, the batch sorption work displays a different affinity of rocks for various tracers. For Grimsel granodiorite, Japan mudstone, and Wyoming dolostone, the adsorption capacity of Sm 3+ and Eu 3+ increases as the particle size decreases. In general, this integrated research of grain size distribution, granular rock porosity, intraparticle diffusivity, and ionic sorption capacity gives insights into the pore connectivity effect on both physical and chemical transport behaviors for different lithologies and/or different particle sizes.

58 GEOSCIENCES↗
DOE OSTI2023

Thermokinetics of point defects in α-Fe 2 O 3

Abstract Point defect formation and migration in oxides governs a wide range of phenomena from corrosion kinetics and radiation damage evolution to electronic properties. In this study, we examine the thermodynamics and kinetics of anion and cation point defects using density functional theory in hematite ( α -Fe 2 O 3 ), an important iron oxide highly relevant in both corrosion of steels and water-splitting applications. These calculations indicate that the migration barriers for point defects can vary significantly with charge state, particularly for cation interstitials. Additionally, we find multiple possible migration pathways for many of the point defects in this material, related to the low symmetry of the corundum crystal structure. The possible percolation paths are examined, using the barriers to determine the magnitude and anisotropy of long-range diffusion. Our findings suggest highly anisotropic mass transport in hematite, favoring diffusion along the c -axis of the crystal. In addition, we have considered the point defect formation energetics using the largest Fe 2 O 3 supercell reported to date.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Is diffuse intracluster light a good tracer of the galaxy cluster matter distribution?

We explore the relation between diffuse intracluster light (central galaxy included) and the galaxy cluster (baryonic and dark) matter distribution using a sample of 528 clusters at 0.2 ≤ z ≤ 0.35 found in the Dark Energy Survey (DES) Year 1 data. The surface brightness of the diffuse light shows an increasing dependence on cluster total mass at larger radius, and appears to be self-similar with a universal radial dependence after scaling by cluster radius. We also compare the diffuse light radial profiles to the cluster (baryonic and dark) matter distribution measured through weak lensing and find them to be comparable. The IllustrisTNG galaxy formation simulation, TNG300, offers further insight into the connection between diffuse stellar mass and cluster matter distributions – the simulation radial profile of the diffuse stellar component does not have a similar slope with the total cluster matter content, although that of the cluster satellite galaxies does. Regardless of the radial trends, the amount of diffuse stellar mass has a low-scatter scaling relation with cluster’s total mass in the simulation, out-performing the total stellar mass of cluster satellite galaxies. We conclude that there is no consistent evidence yet on whether or not diffuse light is a faithful radial tracer of the cluster matter distribution. Nevertheless, both observational and simulation results reveal that diffuse light is an excellent indicator of the cluster’s total mass.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

On the Spectral Evolution of Hot White Dwarf Stars. II. Time-dependent Simulations of Element Transport in Evolving White Dwarfs with STELUM

White dwarf stars are subject to various element transport mechanisms that can cause their surface composition to change radically as they cool, a phenomenon known as spectral evolution. In this paper, we undertake a comprehensive theoretical investigation of the spectral evolution of white dwarfs. First, we introduce STELUM, a new implementation of the stellar evolutionary code developed at the Université de Montréal. We provide a thorough description of the physical content and numerical techniques of the code, covering the treatment of both stellar evolution and chemical transport. Then, we present two state-of-the-art numerical simulations of element transport in evolving white dwarfs. Atomic diffusion, convective mixing, and mass loss are considered simultaneously as time-dependent diffusive processes and are fully coupled to the cooling. We first model the PG 1159-DO-DB-DQ evolutionary channel: a helium-, carbon-, and oxygen-rich PG 1159 star transforms into a pure-helium DB white dwarf due to gravitational settling and then into a helium-dominated, carbon-polluted DQ white dwarf through convective dredge-up. We also compute for the first time the full DO-DA-DC evolutionary channel: a helium-rich DO white dwarf harboring residual hydrogen becomes a pure-hydrogen DA star through the float-up process and then a helium-dominated, hydrogen-bearing DC star due to convective mixing. We demonstrate that our results are in excellent agreement with available empirical constraints. In particular, our DO-DA-DC simulation perfectly reproduces the lower branch of the bifurcation observed in the Gaia color–magnitude diagram, which can therefore be interpreted as a signature of spectral evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Accretion of Gas Giants Constrained by the Tidal Barrier

After protoplanets have acquired sufficient mass to open partial gaps in their natal protostellar disks, residual gas continues to diffuse onto horseshoe streamlines under the effect of viscous dissipation, and to meander in and out of the planets' Hill sphere. Within the Hill sphere, the horseshoe streamlines intercept gas flow in circumplanetary disks. The host star's tidal perturbation induces a barrier across the converging streamlines' interface. Viscous transfer of angular momentum across this tidal barrier determines the rate of mass diffusion from the horseshoe streamlines onto the circumplanetary disks, and eventually the accretion rate onto the protoplanets. Here, we carry out a series of numerical simulations to test the influence of this tidal barrier on superthermal planets. In weakly viscous disks, the protoplanets' accretion rate steeply decreases with their masses above the thermal limit. As their growth timescale exceeds the gas depletion timescale, their masses reach asymptotic values comparable to that of Jupiter. In relatively thick and strongly viscous disks, protoplanets' asymptotic masses exceed several times that of Jupiter. Two-dimensional numerical simulations show that such massive protoplanets strongly excite the eccentricity of nearby horseshoe streamlines, destabilize orderly flow, substantially enhance the diffusion rate across the tidal barrier, and elevate their growth rate until their natal disk is severely depleted. In contrast, eccentric streamlines remain stable in three-dimensional simulations. Based on the upper falloff in the observed mass distribution of known exoplanets, we suggest that their natal disks had relatively low viscosity (α ~ 10 –3 ) and modest thickness (H/R ~ 0.03–0.05).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Sublimation and oxidation measurements of graphite and carbon black at high temperatures in a shock tube using absorption imaging and thermal emission

Surface mass loss rates due to sublimation and oxidation at temperatures of 3000–7000 K have been measured in a shock tube for graphite and carbon black (CB) particles. Diagnostics are presented for measuring surface mass loss rates by diffuse backlit illumination extinction imaging and thermal emission. Here, the surface mass loss rate is found by regression fitting extinction and emission signals with an independent spherical primary particle assumption. Measured graphite sublimation and oxidation rates are reported to be an order of magnitude greater than CB sublimation and oxidation rates. It is speculated that the difference between CB and graphite surface mass loss rates is largely due to the primary particle assumption of the presented technique which misrepresents the effective surface area of an aggregate particle where primary particles overlap and shield inner particles. Measured sublimation rates are compared to sublimation models in the literature, and it is seen graphite shows fair agreement with the models while CB underestimates, likely a result of the particle shielding affect not being considered in the sublimation model.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simulations of flaming combustion and flaming-to-smoldering transition in wildland fire spread at flame scale

Our objective in the present study is to provide basic insights into the coupling between external-gas and solid biomass vegetation processes that control the dynamics of flame spread in wildland fire problems. Here we focus on a modeling approach that resolves processes occurring at vegetation and flame scales, i.e., the formation of flammable vapors due to the thermal degradation of the solid biomass, the subsequent combustion in ambient air, the thermal feedback to the biomass through radiative and convective heat transfer, and the possible transition from flaming combustion (taking place outside of the solid biomass) to smoldering combustion (taking place inside the solid biomass). The capability uses a multiphase combustion framework and treats external-gas processes through a Large Eddy Simulation solver and solid biomass processes through a discrete particle model. The discrete particle model adopts a one-dimensional porous medium formulation, includes descriptions of drying, thermal pyrolysis, oxidative pyrolysis, and char oxidation, as well as a description of the external-gas-to-solid-biomass diffusion of oxygen mass; the discrete particle model thereby provides a treatment of in-depth oxidative processes and allows the simulation of smoldering combustion. The modeling capability is applied to the simulation of fire spread across a surrogate biomass vegetation bed corresponding to a discrete array of cylindrical-shaped, vertically-oriented, pine wood sticks, characterized by a monomodal size distribution, in horizontal flat terrain and under wind-aided conditions. The numerical results demonstrate that the model can simulate successful flaming-to-smoldering transition followed by complete biomass consumption.

01 COAL, LIGNITE, AND PEAT↗