MFiX
MFiX, or Multiphase Flow with Interphase eXchanges, is an open source multiphase flow solver and NETL’s flagship suite of computational fluid dynamics tool for modeling reacting multiphase flows. It has become a standard for comparing, implementing, and evaluating multiphase flow constitutive models, and has been applied to a diverse range of multiphase flow devices and industrial systems. MFiX provides multiple modeling approaches, including a Two-Fluid Model, Discrete Element Model, Coarse-Grained Particle DEM, Superquadric Particle DEM, Glued-Sphere Particle DEM, Particle-in-Cell model, hybrid methods, and a single-phase solver for pure granular flows. These models can be used to simulate gasifiers, circulating fluidized bed combustors, fluidized beds, fluid catalytic crackers, chemical looping combustion systems, and other particle-fluid systems involving hydrodynamics, heat transfer, species transport, and chemical reactions.
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Yade
Yade is an extensible open source framework for discrete numerical models, focused on the Discrete Element Method. Its computation parts are written in C++ using a flexible object model that allows independent implementation of new algorithms and interfaces, while Python is used for rapid and concise scene construction, simulation control, postprocessing, and debugging. Yade is designed for researchers and engineers who need to create, run, inspect, modify, and extend particle-based simulations through scripts, interactive commands, graphical tools, and reusable simulation components. Simulations can be built from specialized generators or constructed directly with Python scripts, giving users flexibility for developing custom models, importing geometries, reusing code, and controlling the full simulation loop. It represents each simulation as a scene containing bodies, interactions, and resultant forces, with bodies defined by geometry, material properties, state variables, etc.
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MercuryDPM
MercuryDPM is an open source code for discrete particle simulations, designed to simulate the motion of particles or atoms by applying forces and torques from external body forces, such as gravity or magnetic fields, and from particle interaction laws. For granular particles, these forces are typically contact forces, including elastic, plastic, viscous, and frictional interactions, while molecular simulations can use interaction potentials such as Lennard-Jones. MercuryDPM is written as a versatile, object-oriented C++ code and is built to be understandable, flexible, and extensible for researchers and engineers who need to create new simulation models. It is developed extensively for granular applications, while remaining adaptable to other particle-based systems and long-range interactions. Its documentation guides users through installation, running simulations, visualization, analysis, and creating new MercuryDPM codes to model systems of their choice.
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XPS (eXtended Particle Simulations)
XPS, or eXtended Particle Simulations, is a state-of-the-art Discrete Element Method simulation software developed by RCPE and distributed globally by InSilicoTrials for high-fidelity particle-based process simulation. Designed specifically for pharmaceutical applications, XPS accurately predicts powder and granular behavior, helping teams better understand, predict, and control pharmaceutical unit operations. It relies on advanced contact models to describe the flow behavior of granular materials and uses massively parallel algorithms optimized for modern GPUs to accelerate simulations, including simulations with up to 100 million particles. XPS helps pharmaceutical engineers assess process configurations in unprecedented detail, explore decision space virtually, reduce costly and time-consuming physical experiments, and support data-driven process development.
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