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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2024

OC6 project Phase IV: validation of numerical models for novel floating offshore wind support structures

Abstract. This paper provides a summary of the work done within Phase IV of the Offshore Code Comparison Collaboration, Continued with Correlation and unCertainty (OC6) project, under International Energy Agency Wind Technology Collaboration Programme Task 30. This phase focused on validating the loading on and motion of a novel floating offshore wind system. Numerical models of a 3.6 MW horizontal-axis wind turbine atop the TetraSpar floating support structure were compared using measurement data from a 1:43-Froude-scale test performed in the University of Maine's Alfond Wind–Wave (W2) Ocean Engineering Laboratory. Participants in the project ran a series of simulations, including system equilibrium, surge offsets, free-decay tests, wind-only conditions, wave-only conditions, and a combination of wind and wave conditions. Validation of the models was performed by comparing the aerodynamic loading, floating support structure motion, tower base loading, mooring line tensions, and keel line tensions. The results show a relatively good estimation of the aerodynamic loading and a reasonable estimation of the platform motion and tower base fore–aft bending moment. However, there is a significant dispersion in the dynamic loading for the upwind mooring line. Very good agreement was observed between most of the numerical models and the experiment for the keel line tensions.

17 WIND ENERGY↗
DOE OSTI2020

Challenges and Opportunities in Staffing and Knowledge Transfer at Research Reactors

University research reactors have been a cornerstone of nuclear engineering research and education since the first reactor was deployed at North Carolina State University in the 1950s. The population of university reactors grew to a high of almost 80 in 1970 but has dropped to 24 operating today. The US Department of Energy – Office of Nuclear Energy supports the remaining reactors through fuel and infrastructure funding. The Nuclear Science User Facilities (NSUF) collaborated with the National Organization of Test, Research, and Training Reactors (TRTR) to study the needs of the university research reactor community. Staffing and knowledge transfer were identified as critical areas. The panel will discuss challenges and opportunities in these areas including how COVID-19 has affected their facilities.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Advanced simulation capability for environmental management, integrated tool-sets and simulator to enhance public communication - 15186

The U.S. Department of Energy (US DOE) Office of Environmental Management (EM), Office of Soil and Groundwater Remediation, is supporting multi-laboratory development of the Advanced Simulation Capability for Environmental Management (ASCEM). ASCEM is an open source and modular computing framework that incorporates new advances and tools for predicting contaminant fate and transport in natural and engineered systems. ASCEM facilitates transparent, efficient and integrated approaches to modeling and site characterization, and provides robust and standardized assessments of performance and risk for EM cleanup and closure activities. Site subsurface simulation modeling and performance assessments are complex and involve sensitivity evaluations and uncertainty quantification to better understand the risks at a site. The ASCEM tool-set was designed in close collaboration with the sites and other potential end-users (both the public and regulators) to allow better communication and understanding of these complex modeling efforts. ASCEM's integrated tool-sets provide a user interface and tools for managing work-flows, including conceptual model development, management of data and metadata for model input, sensitivity analysis, model calibration and uncertainty analysis, model execution on diverse computational platforms, and processing of model output, including visualization. The hierarchical and modular design of ASCEM HPC simulator Amanzi easily lends itself to translating this conceptual model of a site into a numerical model that can easily be spatially and temporally discretized to run on the HPC simulator. Together this integrated work-flow allows for a seamless and integrated analysis tracking all provenance information and modeling uncertainties. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Thermal and Mechanical Energy Performance Analysis of Closed-loop Systems in Hot-Dry-Rock and Hot-Wet-Rock Reservoirs

To understand the potential and limitations for recovering thermal and mechanical energy from closed-loop geothermal systems a collaborative study is underway that will investigate an array of system configurations, working fluids, geothermal reservoir characteristics, operational periods, and heat transfer enhancements. Closed-loop geothermal systems are distinguished from hydrothermal or enhanced geothermal systems (EGS) in that the working fluid only circulates through drilled boreholes. Principal objectives of this study are to determine upper limits for thermal and mechanical energy recovery and optimal operational and configuration parameters for each scenario. Teams of scientists and engineers are applying a suite of numerical simulation and analytical tools to model the heat recovery from closed-loop geothermal systems, and then optimizing operational and configuration parameters to maximize the thermal and mechanical energy recovery. Results from the suite of numerical simulators and analytical tools, such as outlet and inlet states and temperature profiles in the geothermal reservoir over time are intercompared to increase confidence in the analysis. This paper documents the study findings for closed-loop systems in hot-dry-rock and hot-wet-rock reservoirs, where water is the working fluid. The characteristics of the hot-dry-rock reservoir were based on the U.S. Department of Energy's Utah Frontier Observatory for Research in Geothermal Energy (FORGE) site, near Milford Utah. Two objective functions are defined to optimize the operational and configuration parameters of the system, one each for the recovery of mechanical and thermal energy over the period of operation. For both objective functions, a surface plant thermal to mechanical energy conversion factor and an energy drilling cost is required. In keeping with the study objectives the surface plant conversion factor is determined from a second-law of thermodynamics analysis of a generic binary plant, and drilling costs are based on those from the Utah FORGE site and current national electrical costs.

closed-loop geothermal systems↗
DOE OSTI2025

ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows

The integration of Large Language Models (LLMs) into scientific research promises to accelerate discovery, yet a significant gap remains between the dynamic reasoning of Artificial Intelligence (AI) agents and the static, deterministic nature of canonical scientific workflows. This paper introduces ADEPT (Agentic Discovery and Exploration Platform for Tools), a reference architecture and pedagogical framework explicitly designed to bridge this gap. ADEPT's primary mission is to provide a transparent, "glass-box" environment where researchers and engineers can learn to effectively wrap established scientific software (e.g., BLAST, Nextflow pipelines) and compose it into reliable, agent-driven workflows. We describe its modular, multi-server architecture, which leverages the Model Context Protocol (MCP) for tool serving, LangGraph for robust agentic orchestration, and a secure nsjail-based sandbox for safe code execution. By prioritizing architectural clarity, safety, and modularity, ADEPT serves as an extensible blueprint for building trustworthy AI-augmented systems and fosters the collaborative development necessary to responsibly employ agentic AI for science. We provide practical examples of how to adapt and extend this framework, highlighting its utility in workforce development and AI-readiness capabilities across research and development projects.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Development of hybrid 3-D hydrological modeling for the NCAR Community Earth System Model (CESM)

This is the Final Report of our four-year (3-year plus one-year no cost extension) collaborative project between the University of Arizona (UA) and the National Center for Atmospheric Research (NCAR). The overall objective of our project is to develop and evaluate the first hybrid 3-D hydrological model with a horizontal grid spacing of 1 km for the NCAR Community Earth System Model (CESM). We have made substantial progress in model development and evaluation, computational efficiencies and software engineering, and data development and evaluation, as discussed in Sections 2-4. Section 5 presents our success in data dissemination, while Section 6 discusses the scientific impacts of our work. Section 7 discusses education and mentoring success of our project, while Section 8 lists our relevant DOE services. All peer-reviewed papers that acknowledged this project are listed in Section 9. Highlights of our achievements include: • We have finished 20 papers (most published already) on model development and evaluation, computational efficiencies and software engineering, and data development and evaluation • The global datasets developed under this project have been permanently archived and publicly available • Some of our research results have already been implemented in WRF and CLM • Patrick Broxton and Michael Brunke have received their Ph.D. • PI Zeng has served on DOE proposal review panels and DOE lab scientific focus area (SFA) review panels

58 GEOSCIENCES↗
DOE OSTI2017

Laboratory-Directed Research and Development 2016 Summary Annual Report

The Laboratory-Directed Research and Development (LDRD) Program at Idaho National Laboratory (INL) reports its status to the U.S. Department of Energy (DOE) by March of each year. The program operates under the authority of DOE Order 413.2C, “Laboratory Directed Research and Development” (April 19, 2006), which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. LDRD funds are obtained through a charge to all INL programs. This report includes summaries of all INL LDRD research activities supported during Fiscal Year (FY) 2016. INL is the lead laboratory for the DOE Office of Nuclear Energy (DOE-NE). The INL mission is to discover, demonstrate, and secure innovative nuclear energy solutions, other clean energy options, and critical infrastructure with a vision to change the world’s energy future and secure our critical infrastructure. Operating since 1949, INL is the nation’s leading research, development, and demonstration center for nuclear energy, including nuclear nonproliferation and physical and cyber-based protection of energy systems and critical infrastructure, as well as integrated energy systems research, development, demonstration, and deployment. INL has been managed and operated by Battelle Energy Alliance, LLC (a wholly owned company of Battelle) for DOE since 2005. Battelle Energy Alliance, LLC, is a partnership between Battelle, BWX Technologies, Inc., AECOM, the Electric Power Research Institute, the National University Consortium (Massachusetts Institute of Technology, Ohio State University, North Carolina State University, University of New Mexico, and Oregon State University), and the Idaho university collaborators (i.e., University of Idaho, Idaho State University, and Boise State University). Since its creation, INL’s research and development (R&D) portfolio has broadened with targeted programs supporting national missions to advance nuclear energy, enable clean energy deployment, and secure and modernize critical infrastructure. INL’s research, development, and demonstration capabilities, its resources, and its unique geography enable integration of scientific discovery, innovation, engineering, operations, and controls into complex large-scale testbeds for discovery, innovation, and demonstration of transformational clean energy and security concepts. These attributes strengthen INL’s leadership as a demonstration laboratory. As a national resource, INL also applies its capabilities and skills to the specific needs of other federal agencies and customers through DOE’s Strategic Partnership Program.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

A Platform for Genome-Scale Design, Redesign, and Optimization of Bacterial Systems

This project was a collaboration between the Gill and Knight labs at University of Colorado Boulder, the Arkin lab at University of California Berkeley, and the Maness group at the National Renewable Energy Laboratory. There were two main objectives for this project: Objective 1: Integrated, genome-scale strategy for “chassis” strain design and construction. Objective 2: Genome “re-design” framework using multiplex synbio and genome-engineering technologies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Nuclear Fuel Cycle Technologies: Current Challenges and Future Plans - 12558

The mission of the Office of Nuclear Energy's Fuel Cycle Technologies office (FCT program) is to provide options for possible future changes in national nuclear energy programs. While the recent draft report of the Blue Ribbon Commission on America's Nuclear Future stressed the need for organization changes, interim waste storage and the establishment of a permanent repository for nuclear waste management, it also recognized the potential value of alternate fuel cycles and recommended continued research and development in that area. With constrained budgets and great expectations, the current challenges are significant. The FCT program now performs R and D covering the entire fuel cycle. This broad R and D scope is a result of the assignment of new research and development (R and D) responsibilities to the Office of Nuclear Energy (NE), as well as reorganization within NE. This scope includes uranium extraction from seawater and uranium enrichment R and D, used nuclear fuel recycling technology, advanced fuel development, and a fresh look at a range of disposal geologies. Additionally, the FCT program performs the necessary systems analysis and screening of fuel cycle alternatives that will identify the most promising approaches and areas of technology gaps. Finally, the FCT program is responsible for a focused effort to consider features of fuel cycle technology in a way that promotes nonproliferation and security, such as Safeguards and Security by Design, and advanced monitoring and predictive modeling capabilities. This paper and presentation will provide an overview of the FCT program R and D scope and discuss plans to analyze fuel cycle options and support identified R and D priorities into the future. The FCT program is making progress in implanting a science based, engineering driven research and development program that is evaluating options for a sustainable fuel cycle in the U.S. Responding to the BRC recommendations, any resulting legislative changes, and meeting the needs of the commercial nuclear industry (including developing and evaluating fuel concepts that may enhance accident tolerance in light water reactors while possibly improving fuel performance) are program priorities. Continuing to build partnerships and collaborations with industry, universities, international organizations, and other DOE programs are essential to addressing the challenges facing the FCT program. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Laboratory Agenda 2018: Changing the world's energy future and securing our critical infrastructure

Idaho National Laboratory (INL) has a vision of changing the world’s energy future and securing our nation’s critical infrastructure. INL’s mission involves discovering, demonstrating, and securing innovative nuclear energy solutions and other clean energy sources. The Laboratory also has a mission focused on protecting the nation’s power grids and other vital systems against man-made and natural threats. Completing our mission and fulfilling our vision requires carefully charting our path and priorities, building and strengthening our core capabilities, focusing on key research and development (R&D) and mission-support initiatives, assessing our performance, and correcting our priorities when necessary. INL’s Laboratory Agenda articulates INL’s priorities, goals, and initiatives to deliver our mission and vision efficiently, effectively, and collaboratively. It describes our commitment to simultaneous excellence in science and technology, management and operations, and community service, and sets priorities for Laboratory investments.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

High-performance finite elements with MFEM

The MFEM (Modular Finite Element Methods) library is a high-performance C++ library for finite element discretizations. MFEM supports numerous types of finite element methods and is the discretization engine powering many computational physics and engineering applications across a number of domains. Furthermore, this paper describes some of the recent research and development in MFEM, focusing on performance portability across leadership-class supercomputing facilities, including exascale supercomputers, as well as new capabilities and functionality, enabling a wider range of applications. Much of this work was undertaken as part of the Department of Energy’s Exascale Computing Project (ECP) in collaboration with the Center for Efficient Exascale Discretizations (CEED).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Oregon Sustainability Center: Weighing Approaches to Net Zero

The Oregon Sustainability Center (OSC) was to represent a unique public/private partnership between the city of Portland, Oregon, state government, higher education, non-profit organizations, and the business community. A unique group of stakeholders partnered with the U.S. Department of Energy (DOE) technical expert team (TET) to collaboratively identify, analyze, and evaluate solutions to enable the OSC to become a high-performance sustainability landmark in downtown Portland. The goal was to build a new, low-energy mixed-use urban high-rise that consumes at least 50 percent less energy than requirements set by Energy Standard 90.1-2007 of the American Society of Heating, Refrigerating, and Air-Conditioning Engineers (ASHRAE), the American National Standards Institute (ANSI), and the Illuminating Engineering Society of America (IESNA) as part of DOE’s Commercial Building Partnerships (CBP) program.1 In addition, the building design was to incorporate renewable energy sources that would account for the remaining energy consumption, resulting in a net zero building. The challenge for the CBP DOE technical team was to evaluate factors of risk and components of resiliency in the current net zero energy design and analyze that design to see if the same high performance could be achieved by alternative measures at lower costs. In addition, the team was to use a “lens of scalability” to assess whether or not the strategies could be applied to more projects. However, a key component of the required project funding did not pass, and therefore this innovative building design was discontinued while it was in the design development stage.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Analysis of Supply Chains and Advanced Manufacturing of Small Hydropower Systems

Clean energy manufacturing is a sector of increasing importance both in the United States and worldwide. In the United States, it has been presented as an engine for job creation in a sector of the U.S. economy that was hit hard by the 2008-2009 recession. The Clean Energy Manufacturing Analysis Center (CEMAC), sponsored by the U.S. Department of Energy (DOE), conducts credible, objective, industry-relevant, recurring, and consistent analyses of clean energy technologies. In this project, the National Renewable Energy Laboratory (NREL) and the Oak Ridge National Laboratory (ORNL) collaborated in a hydropower manufacturing and supply chain analysis primarily for U.S. small hydropower (SHP) market to provide insights on supply chain constraints, manufacturing cost, location factors, and opportunities for hydropower using advanced manufacturing technologies. The goal of the project is to improve understanding of the manufacturing opportunities in the U.S. hydropower supply chain, specific competitive advantages, and factors for manufacturing location decisions for SHP. These insights could be used to inform investment and research strategies, policy, and other decisions that could promote economic growth and strengthen U.S. manufacturing capabilities. The project scope included a design for manufacturing and assembly (DFMA) costs analysis and a levelized cost of electricity (LCOE) sensitivity analysis of modular, representative SHP turbines. A representative SHP system was chosen to be made up of two 5 megawatt (MW) turbines, as these Kaplan style turbines could be useable for many non-powered dams (NPDs) across the U.S. The sensitivity analysis used the Integrated Design and Assessment (IDEA) tool, which has helped highlight the impact of the turbine equipment cost on the potential capital expenditure (CAPEX) and LCOE of the installed, representative system. In addition, the project team analyzed international tradeflows (e.g., export and import of hydropower turbines and the parts used in hydropower systems). As part of this project, hydropower stakeholder interviews were undertaken to help identify insights related to hydropower manufacturing opportunities for U.S. players in SHP, the country-specific manufacturing advantages in the United States and threats, and key factors behind manufacturing location decisions made by the SHP industry. Key opportunities for the US SHP market and industry include: Foreign export markets such as Chile, China, Columbia, India and Japan, have an estimated 71,795 MW of technical potential that could be serviced with SHP installations. Utilization of existing manufacturing capacity and expertise, along with economies of scale benefits, could result in increased global competitiveness through lower investment requirements and component costs, which could lead to increased U.S. strength in the export of SHP systems and components. Technology advances such as modular turbine designs, standardized units for conduit systems, precast systems, and improved powertrain technologies could help reduce costs, particularly for manufacturing a small number of units. The DOE is also exploring modular hydropower designs, which would integrate standard independently-produced components, validated to meet multiple specifications. Using modules in product design simplifies manufacturing activities such as inspection, testing, assembly, and purchasing, may increase economies of scale to lower total system cost. There are significant opportunities for the use of composites and Additive Manufacturing (AM) for hydropower components, when design changes are made to hydropower systems. By taking advantage of the corrosion resistance, light-weighting and structural benefits, composites and AM could help significantly alter hydropower structures and installations.

13 HYDRO ENERGY↗
DOE OSTI2023

USE OF NOVEL REFRACTORY DESIGN AND INSTALLATION TECHNIQUES FOR IMPROVED ENERGY EFFICIENCY IN IRON AND STEEL AND OTHER ENERGY INTENSIVE INDUSTRIES

This work describes a US Department of Energy funded program which unites key players to develop and deploy new technologies aimed at increasing energy efficiencies while reducing their overall energy and environmental footprint. The research brings together a vertically integrated collaborative team consisting of the end user (US Steel), material producers/suppliers (Allied Mineral Products and Reno Refractories), raw material suppliers (American Metallurgical Services, Minerals Manufacturing), and research organizations (Oak Ridge National Laboratory, National Energy Technology Laboratory and University of Alabama-Birmingham) with the objective of designing and producing new refractory materials. Design and production criteria are based on novel aggregates, improved particle packing, and engineered surface textures. In addition, the recycling and use of spent refractory materials has been investigated resulting in development of a novel installation technique that utilizes additive manufacturing technology and existing refractory shotcrete technology. The combination of these new technologies will improve the energy, environmental, and economic efficiencies of the steel industry while reducing the environmental footprint. The developed technology is potentially applicable to additional energy intensive industries including cement, glass, pulp and paper, and non-ferrous metals processing.

Hemrick, James↗
DOE OSTI2022

Need for advanced research reactors for the next-generation reactor physics, analysis tools, and technology

Full text of publication follows. There is an urgent need for design and deployment of advanced research and test reactors in support of design, licensing and operation of advanced power reactors and education of next generation nuclear workforce. Existing research reactors mostly were designed and constructed decades ago with the main objectives of training operators, performing reactor physics experiments, and educating nuclear engineers and scientists. There are already gaps and significant concern about future capabilities for the existing research reactor facilities to address modern instrumentation and/or flexible environments for: performing reactor physics studies for advanced designs which have significantly different core materials forms and compositions, reactor shapes and size; validation of advanced high-fidelity software; development of machine learning algorithms for enhancement of human-machine collaboration in support of reactor monitoring, operation and safeguards; and, effective education of the next-generation workforce. The authors will focus on the need for advanced research reactors to improve and validate fast and accurate simulation tools for high-fidelity modeling and analysis of nuclear reactors in support of their design, optimization, licensing, operation, and monitoring. In the past, simulation tools were limited to relatively coarse models using approximate methodologies that benefited from two main factors: i) allowance for large margins and tolerances; ii) ability to construct prototype (e.g., zero power) reactors for adjustment of approximate methodologies. The next generation reactors have to be designed mainly by using novel high-fidelity computational tools that are accurate and fast, and therefore can be used for parametric studies and uncertainty quantification. To sufficiently demonstrate the accuracy of these tools, advanced research reactors are needed. The authors argue the need for new computational paradigms such as the MRT (Multistage, Response- function Transport) methodology which has resulted in the development of the novel high-fidelity RAPID (Real-time Analysis for Particle-transport and In-situ Detection) code system. Such code systems have to be robust in modeling any complex system, and should be fast and accurate, henceforth their uncertainties can be quantified at reasonable costs. Again, advanced research reactors are needed for the validation of the fidelity and accuracy of new computational tools. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Thermal and Mechanical Energy Performance Analysis of Closed-loop Systems in Hot-Dry-Rock and Hot-Wet-Rock Reservoirs

To understand the potential and limitations for recovering thermal and mechanical energy from closed-loop geothermal systems a collaborative study is underway that will investigate an array of system configurations, working fluids, geothermal reservoir characteristics, operational periods, and heat transfer enhancements. Closed-loop geothermal systems are distinguished from hydrothermal or enhanced geothermal systems (EGS) in that the working fluid only circulates through drilled boreholes. Principal objectives of this study are to determine upper limits for thermal and mechanical energy recovery and optimal operational and configuration parameters for each scenario. Teams of scientists and engineers are applying a suite of numerical simulation and analytical tools to model the heat recovery from closed-loop geothermal systems, and then optimizing operational and configuration parameters to maximize the thermal and mechanical energy recovery. Results from the suite of numerical simulators and analytical tools, such as outlet and inlet states and temperature profiles in the geothermal reservoir over time are intercompared to increase confidence in the analysis. This paper documents the study findings for closed-loop systems in hot-dry-rock and hot-wet-rock reservoirs, where water is the working fluid. The characteristics of the hot-dry-rock reservoir were based on the U.S. Department of Energy’s Utah Frontier Observatory for Research in Geothermal Energy (FORGE) site, near Milford Utah. Two objective functions are defined to optimize the operational and configuration parameters of the system, one each for the recovery of mechanical and thermal energy over the period of operation. For both objective functions, a surface plant thermal to mechanical energy conversion factor and an energy drilling cost is required. In keeping with the study objectives the surface plant conversion factor is determined from a second-law of thermodynamics analysis of a generic binary plant, and drilling costs are based on those from the Utah FORGE site and current national electrical costs.

Closed-loop geothermal systems, hot-dry-rock, hot-↗
DOE OSTI2013

Application of High Performance Computing for Simulating the Unstable Dynamics of Dilute Spark-Ignited Combustion

In collaboration with a major automotive manufacturer, we are using computational simulations of in-cylinder combustion to understand the multi-scale nonlinear physics of the dilute stability limit. Because some key features of dilute combustion can take thousands of successive cycles to develop, the computation time involved in using complex models to simulate these effects has limited industrys ability to exploit simulations in optimizing advanced engines. We describe a novel approach for utilizing parallel computations to reveal long-timescale features of dilute combustion without the need to simulate many successive engine cycles in series. Our approach relies on carefully guided, concurrent, single-cycle simulations to create metamodels that preserve the long-timescale features of interest. We use a simplified combustion model to develop and demonstrate our strategy for adaptively guiding the concurrent simulations to generate metamodels. We next will implement this strategy with higher-fidelity, multi-scale combustion models on large computing facilities to generate more refined metamodels. The refined metamodels can then be used to accelerate engine development because of their efficiency. Similar approaches might also be used for rapidly exploring the dynamics of other complex multi-scale systems that evolve with serial dependency on time.

Finney, Charles↗
DOE OSTI2017

A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗