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DOE OSTI2025

X-Ray Microtomography Measurements of Coevolving Particle Size and Shape

This study measures simultaneous changes in particle size and shape during grain crushing and proposes quantitative metrics to track their coevolving statistical distribution. Idealized granular materials with widely different initial particle shapes (i.e., spheres, quasi-ellipsoids, plates, and rods) are compressed oedometrically at vertical stress levels sufficient to induce particle breakage. X-ray microtomography and digital image analysis are then used to track changes in particle-scale characteristics. The observations indicate that more irregular particles tend to exhibit a higher degree of breakage compared to more spherical grains subjected to an equivalent stress level. Despite these differences, the measurements also indicate that all the tested particle sets approach a common attractor (expressed in terms of aspect ratio, flatness, and elongation), regardless of their initial morphology. A new shape evolution index is proposed to quantify such trends. With this new metric, it is shown that in all the tested materials, the particle shape evolves faster than size, especially for the more regular morphologies, thus implying that the shape tends to reach its attractor point before the grading reaches its ultimate particle size distribution. Furthermore, this finding underpins an ultimate stage of crushing-driven compression that occurs with particle size reduction but minimal shape changes (i.e., self-replicating shapes due to fractures).

Oedometric compression↗

NASA NTRS1993

Scattering Properties of Aggregate Particles

We are engaged in modeling the scattering and emitting properties of irregular particles with the goal of understanding the composition and structure of cometary dust particles.

discrete dipole approximation non-spherical monome↗

DOE OSTI2023

Discrete element modeling of granular hopper flow of irregular-shaped deformable particles

Many natural and engineered granular materials have relatively deformable particles. Besides particle size and shape, particle deformability is another salient factor that significantly impacts the material’s flow behavior. Here, in this work, the flow of irregular-shaped deformable particles in a wedge-shaped hopper is investigated using discrete element simulations. A bonded-sphere model is developed to simultaneously capture irregular particle shapes and particle-wise deformations (e.g., compression, deflection, and distortion). Quantitative analysis of the effects of irregular shapes and particle deformations shows that the increase in particle stiffness tends to increase initial packing porosity and decrease the flow rate in the hopper. Rigid particles tend to have clogging issues, whereas deformable particles have less chance to, indicating particle deformation reduces the critical bridging width in the hopper flow. Detailed analysis of stress fields is also conducted to provide insights into the mechanism of particle flow and clogging. Stresses and discharge rates calculated from numerical simulations are compared and show good agreement with Walker’s theory and the extended Beverloo formula. Simulations with various particle shape combinations are also performed and show that the initial packing porosity decreases with an increasing percentage of fibers while the discharge rate has a complex dependency on particle shapes.

09 BIOMASS FUELS↗

DOE OSTI2026

Are the U.S. Biorefineries Over the Hurdle of 2000 Ton Daily Throughput Yet?

The efficient utilization of lignocellulosic biomass for biofuel and biochemical production is hindered by material handling issues such as clogging and segregation among other challenges. Preprocessing methods such as drying, screening, and milling have improved conversion yield but have not sufficiently enhanced flowability, especially herbaceous biomass. The poor flowability of herbaceous biomass is rooted in some particle attributes that remain less altered by those methods, e.g., irregular particle shape, high roughness, and high compressibility, making it hard to scale up throughput to a key benchmark for a biorefinery – 2000 ton per day. Applying additional preprocessing methods like pelletization and torrefaction to drastically change those particle attributes can improve flow and handling but has not been comprehensively verified through test. The flowability of herbaceous biomass feedstock formats generated by three different preprocessing methods was recently assessed at Idaho National Laboratory’s Biomass Feedstock National User Facility: first, loose particles size reduced from as-received materials; second, pellets produced from an efficient densification process; and third, powders milled from torrefied pellets. Benchmarking tests including static angle of repose, basic flow energy measured in a powder rheometer, and discharge flow in an adjustable hopper, were conducted to evaluate those feedstock formats. Beyond the capacity of existing experimental apparatuses, a digital engineering approach involving flow simulations and AI models were used to identity the material attributes and processing parameters that have dominant influences on flow throughput. Techno-economic analysis focusing on hopper flow as a typical material handling operation was conducted for those feedstock formats. Perspectives will be discussed on whether the 2000-ton daily throughput for a biorefinery is achievable at an acceptable cost by using any of the tested preprocessing methods.

09 - BIOMASS FUELS↗

NASA NTRS2002

The Opposition Effect: A Very Unusual Case

The reflection of electromagnetic radiation from a planetary regolith involves a combination of geometric and physical optics processes which contribute to the signal returned to the remote observer. The geometric optics effects are the product of singly and multiply scattered radiation from the surfaces of the regolith particles, combined with radiation which has undergone various combinations of transmission through one or more regolith grains followed by one or more scatterings from other particles. The physical optics effects include diffraction of radiation around the edges of large irregular particles and cooperative coherent scattering between particles which are small when compared to the wavelength of the incident radiation. These effects produce measurable changes in the intensity and polarization of reflected light as a function of illumination and viewing geometry. In particular, as phase angle becomes small, the reflectance of a particulate material will increase non-linearly and exhibit the 'opposition effect'. In the planetary science context, the phase curve, and in particular the size of the opposition surge and the width of the phase curve near zero degrees, have been attributed to two processes commonly called 'shadow hiding' (SHOE) and 'coherent backscattering' (CBOE).

Nelson, R. M.↗

NASA NTRS1973

Spectral reflectance and emittance of particulate materials. I - Theory. II - Application and results

The sizes, shapes, and complex refractive indices of particles are calculated in a study of the IR spectral reflectance of a semiinfinite medium composed of irregular particles of different materials. Geometric optics techniques with corrections for additional absorption due to particle edges and asperities is used in scattering and absorption calculations for particles larger than the wavelength. A Lorentz-Lorenz model is used to derive the averaged complex index of the medium, assuming that its individual particles are ellipsoids. Experimental results obtained on a Michelson interferometer for the spectral emittance of particulate mineral materials are compared with theoretical results. Good agreement between the experimental and theoretical results suggests the applicability, in remote IR spectroscopy, of the theoretical concepts applied in this study.

Emslie, A. G.↗

NASA NTRS2007

Summer Dust Aerosols Detected from CALIPSO Observations over the Tibetan Plateau

Summertime Tibetan dust aerosol plumes are detected from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) satellite. CALIPSO reveals that dust storms occur 4 times more frequently than previously found from Tibetan surface observations because few surface sites were available over remote northwestern Tibet. The Tibetan dust aerosol is characterized by column-averaged depolarization and color ratios around 21% and 0.83, respectively. The dust layers appear most frequently around 4-7 km above mean sea level. The depolarization ratio for about 90% of the dust particles is less than 10% at low altitudes (3-5 km), while only about 50% of the particles have a greater depolarization ratio at higher altitudes (7-10 km) suggesting a separation of larger irregular particles from smaller, near spherical ones during transport. The 4-day back trajectory analyses show that these plumes probably originate from the nearby Taklimakan desert surface and accumulate over the northern slopes of the Tibetan Plateau. These dust outbreaks can affect the radiation balance of the atmosphere of Tibet because they both absorb and reflect solar radiation.

Huang, Jianping↗

DOE OSTI2023

Simulation of radioactive plume transport in the atmosphere including dynamics of particle aggregation and breakup

Accurate prediction of the atmospheric transport of debris particles relies heavily on our knowledge of the size distribution of the particles within a debris cloud. Assuming a fixed particle size during simulations is not always viable since the size distribution of the debris can change during transport. Various microphysical processes, such as aggregation and breakup, influence debris particles and dictate any changes to the size distribution. To track those changes that can occur, a population balance model can be adopted and instituted within a model framework. Nonetheless, many of the models that simulate the transport of radioactive debris following a device-driven fission incident have historically neglected to consider these processes. As such, this work describes our effort to develop a modeling framework capable of simulating the transport and deposition of a radioactive plume generated from a fission incident with a dynamic population balance including particle aggregation and breakup. Herein the impact of aggregation and breakup, individually and collectively, on the particle size distribution is explored using the developed framework. When simulating aggregation, for example, six mechanisms, including Brownian coagulation, the convective enhancement to Brownian coagulation, van der Waals-viscous force correction for Brownian coagulation, gravitational collection, turbulent inertial motion, and turbulent shear, are considered. Brownian coagulation and its corrections have, as one would expect, a large impact on relatively small aggregates. Aggregates with a diameter that is less than or equal to 1.0 μm, for instance, comprise 50.6 vol % of all aggregates in the absence of aggregation and 31.2 vol % when Brownian coagulation and its corrections are considered. Gravitational collection and, to a much lesser extent, turbulent shear and turbulent inertial motion are, conversely, of great importance to relatively large aggregates (i.e., diameter greater than 3.0 μm). Additionally, the individual effects of atmospheric and particle parameters, such as wind speed and particle density, are examined. Of the parameters examined, turbulent energy dissipation and aggregate fractal dimension (i.e., aggregate shape with lower values representing more irregular particles) were of substantial importance since both terms directly impact aggregate stability and, by extension, the breakup rate. Large-scale transport and deposition simulations in a dry atmosphere are also presented and discussed as a proof of concept.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

NASA NTRS1972

Light scattering by ice clouds in the visible and infrared - A theoretical study.

Computations of the intensity and linear polarization for single scattering by ice clouds have been made based on the assumption that the particles in ice clouds can be approximated by long circular cylinders which are allowed to be polydispersive as well as arbitrarily oriented in space. The results of two models of optically thin ice clouds are presented and compared with those for polydisperse ice spheres. The two models for ice cylinders are assumed to be either uniformly or randomly oriented in a horizontal plane. Four different wavelengths, 0.7, 3, 3.5 and 6.05 microns, are employed in the light scattering computations. It is found that, compared to ice spheres, long ice cylinders scatter more light in the region with scattering angles near 90 deg, at the expense of scattering in both the forward and backward directions. The glory and cloudbows, which occur in light scattered by spherical particles, are either lost (the glory) or largely reduced and distorted (the cloudbows in the case of cylinders). It is probable that for more irregular particles the cloudbows would also disappear. These differences in scattering by spherical and non-spherical scatterers therefore provide useful information for the differentiation between the ice and liquid phase of cloud particles.

Liou, K.-N.↗

DOE OSTI2021

Lattice Boltzmann simulation of the dissolution of slag in alkaline solution using real-shape particles

Highlights: • A dissolution numerical model was proposed to capture the real dissolution kinetics of slag in alkaline solution. • The log forward dissolution rate of Si was described as a function of NBO/T and solution pH. • A threshold solid volume fraction of 0.688 was found for a voxel in 3D, 63.8% larger than that for a pixel in 2D. • The proposed dissolution numerical model provides a reliable alternative to study the dissolution kinetics of slag. A dissolution numerical model was proposed in this study to capture the real dissolution kinetics of slag in alkaline solution. It consists of three modules, i.e. (i) simulation of the initial particle parking structure of slag in alkaline solution using real-shape particles of slag, (ii) simulation of the chemical reactions between slag and solution based on the transition state theory, and (iii) simulation of the physical transport of aqueous ions using the lattice Boltzmann method. This dissolution numerical model was verified using experimental results, showing reasonable accuracy. After verification, the dissolution numerical model was implemented to study the influences of temperature and particle shape using a proper recipe of slag in alkaline solution. This recipe was designed to avoid solid phase precipitation or gel formation via thermodynamic analysis. The simulation results showed faster dissolution kinetics of slag when using higher temperatures and more irregular particle shapes.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Summary of Biomass Scale Cubical Triaxial Tester Results

09 BIOMASS FUELS↗

DOE OSTI2023

Finite element modeling of biomass hopper flow

Hoppers are widely used biomass handling devices that channel bulk biomass from storage to subsequent handling equipment. Jenike’s longstanding approach, based on the Mohr-Coulomb model, has been successfully used to design hoppers handling cohesionless granular materials such as grains and other agricultural produces. However, designing a hopper to ensure reliable biomass flow is found to be challenging due to cohesion, irregular particle shape, and bulk material elastoplasticity. This study aims to address the biomass handling engineering challenge with alternative constitutive material models concerning the flow behavior of bulk solids. Finite element modeling is an approach that allows for implementation of different material models, whose underlying constitutive theories assist in investigating the origin and manifestation of bulk mechanical behavior of granular materials. This study focuses on the incipient gravity hopper flow of two types of biomass feedstocks, i.e., ground corn stover and Douglas fir wood. Three widely used constitutive material models, i.e., Mohr-Coulomb model, modified Cam-Clay model, and Drucker-Prager/Cap model, are implemented. Using the flow pattern represented by the volume of biomass exhibiting more than 7% of axial strain (Kamath and Puri, 1999), the finite element model predicts that the bulk corn stover particulate material forms an arch, which represents a hampered transition from the static state to the dynamic flow-state out of the hopper, whereas bulk Douglas fir wood particulate material develops a reliable mass flow pattern. A laboratory scale hopper was used to experimentally determine the biomass flow conditions, which were subsequently compared with the predicted onset of flow by a finite element model (FEM). The developed FEM was found to correctly predict the initiation of mass flow for the milled Douglas fir wood, whereas corn stover was predicted to establish a strong core flow suggesting an unreliable handling characteristic. This observation aligns with the reported poor handling of milled corn stover.

09 BIOMASS FUELS↗

NASA NTRS1988

Infrared observations of the dust coma

The main infrared observational results were briefly reviewed at the start of this session. The new results are summarized. All of these results have yet to be synthesized into a self-consistent picture of the dust grain composition, dust production history, outburst mechanisms, and composition of the nucleus. The workshop discussion was helpful in pointing out problems faced by theorists, such as data quality, the lack of the proper theory for computing the scattering and emission of irregular particles, and in some cases the lack of optical constants of realistic materials. It is expected that the gross spectral and dynamical properties of Halley's Comet can be understood in time, even if the details of the observations and the theoretical calculations continue to vex us in the future.

Campins, Humberto C.↗

NASA NTRS1989

Optical properties of irregular interstellar grains

In order to study the interaction of light with interstellar grains, the authors represent an irregular particle by a network of interacting dipoles whose polarizability is determined in a first approach by the Clausius-Mossoti relationship. Typically, 10,000 dipoles are considered. In the case of spherical particles, the results from Mie theory are fully recovered. The main interest of this method is to study with good accuracy the implications of surface roughness and/or inhomogeneities on optical properties in the infrared spectral range, particularly of the silicate emission features.

Perrin, J. M.↗

NASA NTRS2003

Kinetic Simulation of Inhomogeneous Plasma with a Variable Sized Grid System

Space plasmas are usually inhomogeneous and irregular. Particle in cell (PIC) plasma simulations, however, often consider the plasma to be homogeneous and periodic. Here non-periodic PIC simulations with inhomogeneities in the density, temperature and background magnetic field are considered. Boundary conditions and a variable sized grid system are discussed, along with an application to a magnetospheric plasma physics problem in the auroral zone.

Schriver, David↗

NASA NTRS2005

Hematite on the Surface of Meridiani Planum and Gusev Crater

Meridiani Planum was selected as a landing side for the Rover Opportunity because of an indication of hematite observed from orbit. Meridiani Planum consists of sorted sands with aeolian features like ripples and desert pavements. In impact craters, a high-albedo layered bedrock is exposed. The soil is a mixture of: (i) fine sand material in the size ranges of 50 to 150 m, (ii) sub-angular, irregular particles of 0.5 to 5 mm size with submillimeter circular voids that are most likely vesicular basaltic fragments, and (iii) spherules with a restricted grain size between 4 and 6 mm. The Mini-TES on board the rover Opportunity identified a hematite signature at distance resulting from mm-sized spherules as determined by the Moussbauer Spectrometer. Small quantities of similar spherules (2 vol. %) were found in rock exposures in Eagle crater and were interpreted as concretions that formed by precipitation from aqueous fluids inside sedimentary rocks. At Gusev crater no hematite was observed until sol 90 except for layering on a rock. Our investigations of hematite bearing materials, measured by the Alpha Particle X-ray Spectrometer (APXS), Moussbauer Spectrometer (MB), and Microscopic Imager (MI), provide a more integrated view of different occurrences of hematite on the martian surface. Chemistry of soils and rocks: Chemical compositions

Brueckner, J.↗

NASA NTRS1991

A collection of diverse micrometeorites recovered from 100 tonnes of Antarctic blue ice

A new type of meteoritic material, intermediate in size between meteorites and interplanetary dust particles (IDPs), is described. Melting and filtering of about 100 tons of blue ice near Cap Prudhomme, Antarctica, yielded 7500 or more irregular, friable particles and about 1500 melted spherules, about 100 microns in size, both showing a 'chondritic' composition suggestive of an extraterrestrial origin. Analyzed irregular particles appear to be unmelted and have similarities with the fine-grained matrix of primitive carbonaceous chondrites, but are extremely diverse in composition. Isotopic analysis of trapped neon confirms an extraterrestrial origin for 16 of 47 irregular particles and 2 of 19 spherules studied and strongly suggests that they were exposed in space as micrometeoroids. These large Antarctic micrometeorites constitute a new family, or at least a new population, of solar system objects, in a mass range corresponding to the bulk of extraterrestrial material accreted by the earth today.

Maurette, M.↗

NASA NTRS1991

Backscattering by nonspherical particles - A review of methods and suggested new approaches

Scattering of electromagnetic radiation near the backward direction is more sensitive to particle shape than scattering near the forward direction. Mie theory is therefore of dubious applicability to predicting backscattering by atmospheric particles known to be irregular or to inverting measurements on such particles. An irregular particle is one with an uncertain shape. In the face of uncertainty one must adopt a statistical approach in which scattering properties of ensembles are determined. To obtain ensemble averages, a basis is needed for averaging over a set of electromagnetic microstates. Ensemble averages based on the Rayleigh theory for small ellipsoids and on the T matrix method for spheroids agree better with measurements than Mie theory does. The coupled-dipole method also provides a basis for ensemble averaging. This method also leads to a simple physical interpretation of why backscattering is so sensitive to particle shape and can be used to calculate scattering by one- and two-dimensional analogs to three-dimensional irregular particles.

Bohren, Craig F.↗