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DOE OSTI2025

New electric force and charge exchange modules in discrete element model enables particle dynamics simulation in electric field

Discrete element modeling (DEM) is an important technique for particle dynamics simulation. The field of metal additive manufacturing often utilizes DEM to simulate the rheological behaviors of powder. Standard contact and short-range interactions are sufficient in most cases but insufficient to describe the particle dynamics with the influence of an electric field. Modeling such a system requires additional physics to describe the particle–field interactions. The relevant physics has been experimentally understood but is not yet available in DEM. Here, we develop a charge exchange and an electric force module. The electric force module governs particle response to the electric field, while the charge exchange module enables particles to acquire proper charge during contact with charged geometries. We validate the modules against analytical calculations and high-speed videos of electrostatic powder deposition experiments. Notably, the model struggles to capture the initial particle levitation. We later deploy a modified electric field, as supported by static electric field simulation, to better approximate the electric field penetration into the powder layer. This modification improves the model’s capability of simulating realistic particle levitation. The results highlight the challenges of modeling particle behaviors in the electric field while demonstrating the feasibility of obtaining quantitative results, which are difficult to measure experimentally.

charge exchange↗

DOE OSTI2024

A high-resolution pseudo-polygon discrete element model for regional sea ice

Here, this work presents a pseudo-polygon discrete element model for high-resolution sea ice simulations. A scale-invariant bonded particle contact model is proposed to model joints between sea ice floes based on the smeared fracture model and a lattice spring beam model, and the Mohr–Coulomb failure criterion is implemented to represent the shearing failure mechanism of sea ice packings under complex loadings. All mechanical parameters of the bond model can be directly determined from laboratory tests. Validations of the proposed model are made by investigations of mechanical response and failure criteria of field sea ice sheets. Compared with the field observations of sea ice from satellite radar and in situ stress sensors, the proposed model is capable of reproducing the typical constitutive behavior and the Coulomb friction envelope of field sea ice. Finally, the proposed discrete element sea ice model is used to study the effect of loading rates on mechanical behavior including failure strength of regional sea ice.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1971

An Evaluation of Current NASTRAN Discrete Element Models for Monocoque and Semimonocoque Structures

The current discrete element analysis models in NASTRAN, Levels 8. 1.0 and 11. 1. 0, are evaluated for semi-rnonocoque and monocoque structures. Comparative results are presented with the FORMAT-I11 general-purpose code for a swept wing statics analysis and a Skylab substructure vibration analysis. Good agreement between Level i I. 1.0 and FORMAT-111 is demonstrated; however, a major error in Level 8. 1.0 was discovered on the Skylab vibration problem. The computational performance of NASTRAN was superior to FORMAT, but the vibration rigid format was found to have several inefficiencies. Comparative results are also presented between Level 11. 1. 0 and STACUSS, SLADE, BOND, UNIVALVE, and another special-purpose code. Results for two of the structures analyzed, a cylindrical shell and an elliptic plate, indicate curved discrete elements are significantly more accurate than the plate elements in NASTRAN for the same number of degrees of freedom.

Edward L. Stanton↗

NASA NTRS1998

Spiral waves are stable in discrete element models of two-dimensional homogeneous excitable media

The spontaneous breakup of a single spiral wave of excitation into a turbulent wave pattern has been observed in both discrete element models and continuous reaction-diffusion models of spatially homogeneous 2D excitable media. These results have attracted considerable interest, since spiral breakup is thought to be an important mechanism of transition from the heart rhythm disturbance ventricular tachycardia to the fatal arrhythmia ventricular fibrillation. It is not known whether this process can occur in the absence of disease-induced spatial heterogeneity of the electrical properties of the ventricular tissue. Candidate mechanisms for spiral breakup in uniform 2D media have emerged, but the physical validity of the mechanisms and their applicability to myocardium require further scrutiny. In this letter, we examine the computer simulation results obtained in two discrete element models and show that the instability of each spiral is an artifact resulting from an unphysical dependence of wave speed on wave front curvature in the medium. We conclude that spiral breakup does not occur in these two models at the specified parameter values and that great care must be exercised in the representation of a continuous excitable medium via discrete elements.

NASA Discipline Cardiopulmonary↗

NASA NTRS2008

Discrete Element Modeling (DEM) of Triboelectrically Charged Particles: Revised Experiments

In a previous work, the addition of basic screened Coulombic electrostatic forces to an existing commercial discrete element modeling (DEM) software was reported. Triboelectric experiments were performed to charge glass spheres rolling on inclined planes of various materials. Charge generation constants and the Q/m ratios for the test materials were calculated from the experimental data and compared to the simulation output of the DEM software. In this paper, we will discuss new values of the charge generation constants calculated from improved experimental procedures and data. Also, planned work to include dielectrophoretic, Van der Waals forces, and advanced mechanical forces into the software will be discussed.

Hogue, Michael D.↗

DOE OSTI2024

Two-Fluid and Discrete Element Modeling of a Parallel Plate Fluidized Bed Heat Exchanger for Concentrating Solar Power

A novel high-temperature particle solar receiver is developed using a light trapping planar cavity configuration. As particles fall through the cavity, the concentrated solar radiation warms the boundaries of the receiver and in turn heats the particles. Particles flow through the system, forming a fluidized bed at the lower section, leaving the system from the bottom at a constant flowrate. Air is introduced to the system as the fluidizing medium to improve particle heat transfer and mixing. A laboratory scale cavity receiver is built by collaborators at the Colorado School of Mines and their data are used for model validation. In this experimental setup, near IR quartz lamp is used to provide flux to the vertical wall of the heat exchanger. The system is modeled using the discrete element method and a continuum two-fluid method. The computational model matches the experimental system size and the particle size distribution is assumed monodisperse. A new continuum conduction model that accounts for the effects of solid concentration is implemented, and the heat flux boundary condition matches the experimental setup. Radiative heat transfer is estimated using a widely used correlation during the post-processing step to determine an overall heat transfer coefficient. The model is validated against testing data and achieves less than 30% discrepancy and a heat transfer coefficient greater than 1000 W/m2 K.

concentrating solar power↗

DOE OSTI2024

Discrete element modeling of irregular-shaped soft pine particle flow in an FT4 powder rheometer

Pine residues are a commonly used biomass feedstock that consists of different anatomical fractions, each with distinct particle characteristics. Here, in this work, an experiment-informed discrete element model is developed to investigate the flowability of pine residues in an FT4 rheometer. Multi-sphere particles with distinct particle attributes are created to model each anatomical fraction type. A systematic analysis of specimens with varying particle characteristics (e.g., anatomical fraction type, particle shape, and size) is conducted to elucidate the relationship between particle attributes and flowability. The results show that stems recorded the highest axial force and torque and, correspondingly, the highest flow energy, which is attributed to their high stiffness and interlocking effect. Increasing their percentage in the mixture increases the flow energy while increasing needles tends to decrease flow energy. Knowledge gained in this study on the flow of anatomical fractions is important for the efficient and robust processing of pine residues.

09 BIOMASS FUELS↗

NASA NTRS2008

Determining Trajectory of Triboelectrically Charged Particles, Using Discrete Element Modeling

The Kennedy Space Center (KSC) Electrostatics and Surface Physics Laboratory is participating in an Innovative Partnership Program (IPP) project with an industry partner to modify a commercial off-the-shelf simulation software product to treat the electrodynamics of particulate systems. Discrete element modeling (DEM) is a numerical technique that can track the dynamics of particle systems. This technique, which was introduced in 1979 for analysis of rock mechanics, was recently refined to include the contact force interaction of particles with arbitrary surfaces and moving machinery. In our work, we endeavor to incorporate electrostatic forces into the DEM calculations to enhance the fidelity of the software and its applicability to (1) particle processes, such as electrophotography, that are greatly affected by electrostatic forces, (2) grain and dust transport, and (3) the study of lunar and Martian regoliths.

Source record↗

DOE OSTI2023

An experiment-informed discrete element modelling study of knife milling for flexural biomass feedstocks

A discrete element method (DEM) based approach is used to study the relationships between material attributes (MAs), processing parameters (PPs), and quality attributes (QAs) for the knife milling of maize stalks. An approximate DEM shape model was conceptualized based on real maize stalks and calibrated based on experimental bending test data for flexural properties (elastic bending stiffness, elastic bending angle limit, elastoplastic ratio, etc.). DEM simulations of maize stalk comminution in a Jordan Reduction Solutions (“JRS”) knife mill were performed to investigate the relationships between the MAs (maize stalk size and breakage stress limit), PPs (impeller rotational speed), and QAs (mass throughput and output particle size distribution (PSD)). The DEM results suggest that stalk length has little influence on mass throughput and PSD, whilst stalks with larger cross sections tend to generate larger sizes of milled particles given the same breakage stress limit. Both the DEM and experimental results show that faster impeller rotation (or higher power) does not necessarily generate higher throughput or smaller output PSD, especially for maize stalks of higher breakage stress limit. The correlations between these MAs, PPs and QAs are found highly stochastic, though breakage stress limit dictates mass throughput, regardless of stalk size. The DEM-predicted output particle size tended to match the experimental data with coarse PSDs based on sieve size but showed weakened fidelity with finer material, indicating the potential for further model improvement.

09 BIOMASS FUELS↗

NASA NTRS2008

Discrete Element Modeling of Triboelectrically Charged Particles

Tribocharging of particles is common in many processes including fine powder handling and mixing, printer toner transport and dust extraction. In a lunar environment with its high vacuum and lack of water, electrostatic forces are an important factor to consider when designing and operating equipment. Dust mitigation and management is critical to safe and predictable performance of people and equipment. The extreme nature of lunar conditions makes it difficult and costly to carry out experiments on earth which are necessary to better understand how particles gather and transfer charge between each other and with equipment surfaces. DEM (Discrete Element Modeling) provides an excellent virtual laboratory for studying tribocharging of particles as well as for design of devices for dust mitigation and for other purposes related to handling and processing of lunar regolith. Theoretical and experimental work has been performed pursuant to incorporating screened Coulombic electrostatic forces into EDEM, a commercial DEM software package. The DEM software is used to model the trajectories of large numbers of particles for industrial particulate handling and processing applications and can be coupled with other solvers and numerical models to calculate particle interaction with surrounding media and force fields. While simple Coulombic force between two particles is well understood, its operation in an ensemble of particles is more complex. When the tribocharging of particles and surfaces due to frictional contact is also considered, it is necessary to consider longer range of interaction of particles in response to electrostatic charging. The standard DEM algorithm accounts for particle mechanical properties and inertia as a function of particle shape and mass. If fluid drag is neglected, then particle dynamics are governed by contact between particles, between particles and equipment surfaces and gravity forces. Consideration of particle charge and any tribocharging and electric field effects requires calculation of the forces due to these effects.

Hogue, Michael D.↗

NASA NTRSDate not supplied

A Framework for Optimization-Based ISRU Tool Design Using Discrete Element Modeling

Novel robotic excavation technologies are needed to perform in-situ resource utilization (ISRU) tasks at levels required to sustain a long-term presence on the lunar surface. Developing and testing multiple iterations of functional hardware is time and cost prohibitive, thus slowing down the pace of progress and delaying humanity’s settlement of the Moon. High-fidelity, physics-based simulation can reduce the time and effort required to develop and deploy robotic systems [1]. We have adopted this approach to create high-fidelity models of robotic test hardware to enable rapid virtual design and optimization of excavation technologies [2]. Such models can leverage modern computational tools like Discrete Element Method (DEM) simulations that can be coupled with automated design approaches like topology optimization to reduce the amount of prototyping and physical testing needed to realize useful tools.

ISRU↗

DOE OSTI2024

Implementation of the Glued Sphere Discrete Element Model for Non-Spherical Particles in MFiX Software

To enhance solver capabilities, simulation flexibility and model validation within the MFiX software, the U.S. Department of Energy (DOE) is funding efforts to develop and integrate the glued-sphere discrete element method into the latest version of MFiX as a dedicated computational module. The glued-sphere discrete element method is a numerical technique to depict the behavior of non-spherical particles in granular flows or particulate systems by representing them as a collection of component spheres. These spheres are bonded together to approximate the shape and mechanical/chemical properties of a more complex particle. The method effectively reuses the existing sphere-sphere collision algorithm, interphase momentum and heat transfer calculations utilized in the traditional discrete element method, extending these capabilities to non-spherical particles. Additionally, this method explicitly resolves intra-particle temperature and species distributions. The MFiX glued-sphere computational module includes tools for generating glued sphere configurations, a dedicated solver, and visualization capabilities in post-processing. More specifically within the computational module, collision detection and calculations were first performed on component spheres and then mapped onto non-spherical particles. The linear spring-dashpot model was utilized to simulate the sphere-sphere interactions.

Ke, Renjie↗

DOE OSTI2025

Predicting the evolution of biomass bulk density through feedstock preprocessing: Discrete element modeling, regression analysis, and pilot-scale validation

Bulk density is an important material property of biomass feedstocks, influencing handling, storage, transport costs, and conversion efficiency. In this study, predictive regression models for loose and tapped bulk densities of Alamo and Cave-in-Rock switchgrass are developed using a comprehensive dataset generated via calibrated bonded-sphere discrete element method (DEM) simulations. Here, a key contribution of this study is the use of a DEM-based approach, which correlates density with moisture content and particle size distribution parameters and enables analysis across a continuous particle size range, overcoming limitations of purely experimental data. For comparison, regression models are also developed using only experimental data from pilot-scale runs at the Biomass Feedstock National User Facility at Idaho National Laboratory. Validation against pilot-scale data showed reasonable prediction accuracy for both model types, particularly for smaller particle sizes (post-secondary grinding). While the experimental model showed slightly better performance matching the validation data in some cases, the DEM-based model benefits from a much larger dataset, reduced predictor multicollinearity, and continuous parameter coverage, highlighting the utility of validated simulation models for developing robust predictive tools for biomass preprocessing applications.

09 - BIOMASS FUELS↗

NASA NTRS2022

Investigating Particle-Particle Electrostatic Effects on Charged Lunar Dust Transport via Discrete Element Modeling

NASA surface exploration missions have always seen negative effects of dust including the Apollo missions. The astronaut-witnessed unusual behavior of the dust particles that surround the vehicle after engine cutoff has the potential to have more of an influence on surface systems dust loading than the high velocity lunar rocket plume ejecta in the landing process. The levitation and transport of the fine components of regolith on lunar surface has been linked to electrostatic effects and electric field, but so far there is no accurate model considering the inter-particle electrostatic interactions, especially when the particles are charged by rocket plume or other mechanical interactions due to exploration activities. This study is proposed to investigate the dynamics of charged lunar regolith with a discrete element method (DEM) approach focusing on the inter-particle interactions and contact charge transfer. The grain dynamics is coupled with mechanical and electrical particle interactions, and both short- and long-range interactions between spherical particles are incorporated. A tribo-charging model based on instantaneous collisions between particles is adopted and validated by comparing the simulation results to existing experimental data. Sensitivity analysis is conducted to quantify the effects of initial charge, tribo-charging, and E-field on transport of lunar dust based on JSC-1 simulants with a radius of 50 lm. DEM simulations are also conducted in a near realistic lunar environment with the estimations of initial conditions that shows the difference in position and velocity distributions between charged particles and uncharged particles. The results indicate that the charged dust particles have higher dispersion of position and velocity by several orders of magnitude due to electrostatic effects. This provides a potential explanation for the phenomena of the approximately 30 s dust lofting following Apollo Lunar Module landing.

Lunar dust↗

DOE OSTI2026

LANL Institutional Computing Report: Towards a digital twin of Arctic sea ice

Our goal is to develop a digital twin of Arctic sea ice that combines high-resolution predictive modeling with observational products. This effort will provide an optimized model for use in seasonal to sub-seasonal forecasting and a tool for policymakers to better anticipate, plan for, and mitigate the national security impacts of rapidly changing Arctic conditions. The modeling component uses the Discrete Element Model for Sea Ice (DEMSI), which uses discrete elements to represent the sea ice with an explicit representation of forces between them.

58 GEOSCIENCES↗

NASA NTRS2024

Physics of the Seasonal Sea Ice Zone

The seasonal sea ice zone encompasses the region between the winter maximum and summer minimum sea ice extent. In both the Arctic and Antarctic, the majority of the ice cover can now be classified as seasonal. Here, we review the sea ice physics that governs the evolution of seasonal sea ice in the Arctic and Antarctic, spanning sea ice growth, melt, and dynamics and including interactions with ocean surface waves as well as other coupled processes. The advent of coupled wave–ice modeling and discrete-element modeling, together with improved and expanded satellite observations and field campaigns, has yielded advances in process understanding. Many topics remain in need of further investigation, including rheologies appropriate for seasonal sea ice, wave-induced sea ice fracture, welding for sea ice freeze-up, and the distribution of snow on seasonal sea ice. Future research should aim to redress biases (such as disparities in focus between the Arctic and Antarctic and between summer and winter processes) and connect observations to modeling across spatial scales.

sea ice↗

NASA NTRS1987

Discrete element weld model, phase 2

A numerical method was developed for analyzing the tungsten inert gas (TIG) welding process. The phenomena being modeled include melting under the arc and the flow in the melt under the action of buoyancy, surface tension, and electromagnetic forces. The latter entails the calculation of the electric potential and the computation of electric current and magnetic field therefrom. Melting may occur at a single temperature or over a temperature range, and the electrical and thermal conductivities can be a function of temperature. Results of sample calculations are presented and discussed at length. A major research contribution has been the development of numerical methodology for the calculation of phase change problems in a fixed grid framework. The model has been implemented on CHAM's general purpose computer code PHOENICS. The inputs to the computer model include: geometric parameters, material properties, and weld process parameters.

Prakash, C.↗

NASA NTRSDate not supplied

Overview of the Predictive Simulation Capability Element of the Plume Surface Interaction Project

As part of the Game Changing Development (GCD) Program, funded by NASA’s Space Technology Mission Directorate (STMD), the development of simulation capability for the prediction of extra-terrestrial Plume Surface Interaction (PSI) environments has been undertaken by the Fluid Dynamics Branch at NASA/MSFC. The GCD PSI Project, planned to be completed over a four year period, contains a Predictive Simulation Capability (PSC) Element focused on creating simulation capability for the reliable and accurate prediction of PSI in Martian (~650 Pa) and Lunar (vacuum) ambient environments. In addition to the PSC Element, the GCD Program also contains a companion Ground Testing Element for development of focused datasets for validation of predictive capability as well as a Flight-focused Instrumentation Element. This paper describes the PSC Element of the PSI Project as well as providing descriptions of recent accomplishments and remaining work. The overall structure of the PSC Element is broken down into four areas of focus. The first area is the Prediction of Plume Flow in low pressure environments. The development approach taken is the augmentation of the existing production-mode computational fluid dynamics (CFD) tool Loci/Chem, with targeted extensions necessary to accurately model rarefied conditions found in both Martian and Lunar applications. Production readiness and validation of predictive capability are the major objectives of this task. The second area is the effect of mixed continuum/rarefied flow on crater development and ejecta sheets. A new CFD application, Loci/GGFS (Gas Granular Flow Solver), is being developed which implements an Eulerian/Eulerian two-phase model of gas- and soil-phases in order to simulate the soil erosion, crater formation, and soil ejecta transport in a fully coupled simulation. This task seeks to verify Loci/GGFS is production-ready as well as perform validation studies to determine the degree of predictive capability achieved by Loci/GGFS. The third area is focused on the details and extension of particle phase modeling of soil. In this task, Discrete Element Modeling (DEM) techniques are used to perform direct simulations of complex soil particles under the action of forcing similar to that to be cause by PSI. The simulation results are then used to construct closures to the Eulerian model of the soil phase used by Loci/GGFS. The fourth area is gas-particle interaction modeling. In this task, experiments are being conducted as well as detailed simulation results are being studied to further understand the complexities of gas-particle interactions in dilute, intermediate, and high soil volume fraction regimes. Improved models of particle drag and the particle turbulent kinetic energy (PTKE) resulting from the interaction of gas flows within particle clouds are the objective of this task.

Jeff West↗