Los Alamos National Laboratory

Los Alamos National Laboratory

Delivering science and technology to protect our nation and promote world stability

Scientific Software

High-performance computational methods and software tools in support of environmental health, cleaner energy and national security

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  • Deputy Group Leader
  • Gilles Bussod
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Urban Fire Modeling

Urban fire modeling for New York City

The Computational Earth Science (EES-16) Group develops and applies a suite of simulation tools to address coupled physical processes across numerous scales, in support of projects addressing phenomena both above and below ground, as well as at the critical land surface interface.

CO2-PENS: CO2 Predicting Engineered Natural System

CO2-PENS is a conceptual and computer model for ensuring safe and effective containment of CO2.

The model links together physics-based process-level modules that describe the entire CO2 sequestration pathway, starting from capture at a power plant and following CO2 through pipelines to the injection site and into the reservoir. After injection, simulation of CO2 migration continues through the subsurface, where it may mineralize, dissolve into brine, or react with wellbore casing or cement.

CO2 may leak from the reservoir along wellbores or faults that lead back towards overlying aquifers or the surface. The model can be used to quickly screen sequestration sites or to perform a more detailed site-specific evaluation.

CO2-PENS V1 code: LACC-2012-122

CO2-PENS website

dfnWorks

dfnworks is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport.

Developed at  Los Alamos National Laboratory since 2011, dfnWorks has been used to study flow and transport in fractured media at scales ranging from millimeters to kilometers.

dfnworks website

FEHM: Finite-Element Heat and Mass-Transfer

The numerical background of the FEHM computer code can be traced to the early 1970s when it was used to simulate geothermal and hot dry rock reservoirs. The primary use over a number of years was to assist in the understanding of flow fields and mass transport in the saturated and unsaturated zones below the potential Yucca Mountain repository.

Today FEHM is used to simulate groundwater and contaminant flow and transport in deep and shallow, fractured and un-fractured porous media throughout the US DOE complex.

FEHM has proved to be a valuable asset on a variety of projects of national interest including Environmental Remediation of the Nevada Test Site, the LANL Groundwater Protection Program, geologic CO2 sequestration, Enhanced Geothermal Energy (EGS) programs, Oil and Gas production, Nuclear Waste Isolation, and Arctic Permafrost.

FEHM V3 code: LA-CC-2012-083

FEHM website

 

HIGRAD/FIRETEC: Coupled Atmosphere/Wildfire Behavior Model

Recent advances in numerical modeling of small-scale phenomena in the atmosphere are based on two models, the HIgh GRADient applications model (HIGRAD), and a physics-based wildfire-behavior model (FIRETEC). These codes have allowed simulations of atmospheric phenomena at very high spatial resolution on LANL's supercomputers.

HIGRAD is coupled to FIRETEC to produce a coupled atmosphere/wildfire behavior model based on conservation of mass, momentum, species, and energy that simulates wildland fire and motions of the local atmosphere.

Examples of the tyes of pysical phenomenon of interest are the effects of transient wind conditions, effects of nonhomogeneous terrain, and the effects of nonuniform fuels, and influence of disturbances on fire behavior such ans bark beetle and fuel management.

HIGRAD code: LA-CC-00-45

FIRETEC code: LA-CC-00-46

FIRETEC website

LaGriT: Mesh Generation for Geological Applications

LaGriT is a software tool for generating, editing and optimizing multi-material unstructured finite element grids; it also maintains the geometric integrity of complex input volumes, surfaces, and geologic data and produces an optimal grid (Delaunay, Voronoi) elements.

The data structures used in the code are compact and powerful and expandable to include hybrid meshes (tet, hex, prism, pyramid, quadrilateral, triangle, line), however the main algorithms are for triangle and tetrahedral meshes.

The LaGriT tools are used in many projects including ASCEM meshing for Amanzi, Discrete Fracture Networks (DFN), Arctic Permafrost, and Subsurface Flow and Transport models using FEHM and PFLOTRAN.

LaGriT code: LA-CC-07-38; LACC-2012-084

LaGriT website

LBM3RT: Lattice Boltzmann Methods for Multiphase Multi-component Reactive Transport

The LANL-developed LBM3RT is a suite of computer codes for physics-based simulation of coupled multiphase flow, transport of heat and mass, as well as (electro)chemical reactions in porous media with evolving hydrological properties at the individual pore/grain scale

LBM3RT code: LA-CC-17-022, C17027

LBM3RT website

MADS: Model Analysis & Decision Support

MADS provides high performance computing and analyses for environmental management.

An open-source code, MADS is designed as an integrated computational framework performing a wide range of model-based analyses, and supporting scientifically defensible decision making and risk management based on model predictions.

MADS code: LA-CC-10-055, LA-CC-11-035

MADS website

MARFA: Migration Analysis for Radionuclides in the FAr field

The computer code MARFA (Migration Analysis for Radionuclides in the FAr field) uses an extremely efficient particle-based Monte Carlo method to simulate the transport of radionuclides beneath the surface of the Earth.

The algorithm uses non-interacting particles to represent packets of radionuclide mass. These particles are moved through the system according to rules that mimic the underlying physical transport and retention processes.

In contrast to the conventional random walk particle tracking algorithm, which use a specified time step and random spatial displacement, the MARFA algorithms use a fixed spatial displacement and a random transit time for the displacement. The use of a fixed spatial displacement makes the code extremely robust and computationally efficient.

MARFA V3.2.3 and V3.3.1 code: LA-CC-11-089

MARFA website  

PFLOTRAN: Parallel code for Flow and Reactive Transport

PFLOTRAN is an open source, state-of-the-art massively parallel multiphase, multicomponent and multiscale subsurface flow and reactive transport code. Parallelization is achieved through domain decomposition using the PETSc libraries.

PFLOTRAN has been developed from the ground up for parallel scalability and has been run on up to 218 processor cores with problem sizes up to 2 billion degrees of freedom. Currently PFLOTRAN can handle a number of surface and subsurface processes, including Richards equation, two-phase flow involving supercritical CO2, and multicomponent reactive transport including aqueous complexing, sorption and mineral precipitation and dissolution, on structured as well as unstructured grids.

A unique feature of the code is its ability to run multiple input files and multiple realizations of permeability and porosity fields simultaneously on one or more processor cores per run. Additional capabilities include multiple interacting continuum method and discrete fracture network approach for modeling flow and transport in fractured media.

PFLOTRAN code: LA-CC-09-047

PFLOTRAN website

PyFEHM: FEHM with Python

PyFEHM is an open-source (LGPL 2.1) Python library that provides classes and methods to support a scripting environment for the subsurface heat and mass transfer, and geomechanics code FEHM.

The library is inspired by a similar library, PyTOUGH, available for use with the TOUGH2 family of codes.

PyFEHM code: LA-CC-13-082

PyFEHM website

WELLS: Multi-well variable-rate pumping-test analysis tool

WELLS is a C code for multi-well variable-rate pumping-test analysis based on analytical methods and computes drawdown in confined, unconfined and leaky aquifers through a variety of analytical solutions.

WELLS code: LA-CC-10-019; LA-CC-11-098

WELLS website

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