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Modeling and Simulation

Argonne’s modeling and simulations capabilities help to transition ideas into manufacturable solutions.

As a means to lower the cost and accelerate the pace of technology transitions, we use the high-performance computing resources available through the Argonne Leadership Computing Facility (ALCF). Argonne’s expertise in small- and large-scale computing and data science can be leveraged to iterate through possible solutions before investing in physical prototypes, processing instrumentation or specialized manufacturing capabilities.

Crosscutting Approach

Highlights of Argonne’s crosscutting approach to modeling and simulation include:

  • Validated Science and Engineering Models: Data collected from experimental facilities such as the Advanced Photon Source (APS)  and Center for Nanoscale Materials (CNM) can be incorporated into theoretical models.
  • Technology Readiness Level (TRL) Advancement Using Argonne’s Facilities: The predictions from models are often hard to operationalize. In a departure from traditional computational efforts, our computational approach builds a holistic framework for problem solving to test and validate solutions. For example, we can test a proposed method for material scale-up at Argonne’s Materials Engineering Research Facility (MERF) to create a process blueprint to de-risk investment.
  • Science-Based Solutions: Our modeling and simulation tools are aimed at maturing advanced science and engineering solutions for target applications. We emphasize knowledge transfer and validation of simulation results using the combined power of computing and experimentation.
  • Sensitive to Industry Needs: In the new era of manufacturing, industries need to reduce go-back, improve predictive accuracy and prevent unnecessary use of resources. Investing in knowledge and replacing intuition with validated models can improve the efficiency of R&D. Also, Argonne experts can provide realistic estimates of timelines for developing models to support R&D decisions and provide objective guidance on the predictive accuracy of models.

Competitive Advantage

Argonne offers a competitive advantage for building sustainable partnerships for developing new solutions, which includes:

  • For industry and academia, free access to Argonne’s modeling and simulation resources is available for exploration of pre-competitive technologies
  • Cost-shared access to researchers and domain experts for exploring new ideas and de-risking R&D investment
  • Ability to test open source and commercial codes in a large scalable computing facility
  • Ability to handle proprietary and sensitive research data
  • Integration of sensing and measurement science with computational modeling

Specialized Tools and Expertise

Our computational tools and expertise for developing solutions include:

  • Multiscale modeling of materials and processing
  • Machine learning and data-intensive computing
  • Quanta-to-Continuum scale approaches for materials modeling
  • Multiphysics models for coupled interactions at the system or device level
  • Computations for reducing time to certification of products
  • Scientific computing and research on scalable solutions for timely decision making
  • Computational models for energy efficient and sustainable manufacturing
  • Risk and resilience models for manufacturing plans and device prototypes
  • Supply chain models, management and optimizations
  • Custom software and data solutions for improving R&D workflow


Materials Manufacturing Innovation Center General Inquiries

Supercomputing: ALCF

Katherine Riley, Director of Science at the Argonne Leadership Computing Facility, discusses how supercomputers are enhancing experiments and driving new scientific discoveries.

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