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1UCM#.ppt – Author – Meeting, Date

Program Webinar : National Laboratories Partner with U.S. Industry to Develop

Materials for Applied Energy TechnologiesLori Diachin, HPC4Materials Program Director

Robin Miles HPC4Materials Project Manager

LLNL-PRES-747436Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344.

FUEL CELL TECHNOLOGIES OFFICE


10:30 – 10:40 PST Welcome and webinar instructions

10:40 – 11:10 PST Overview of program

11:10 – 12:00 PST Q&A

Participant instructions

Please turn off video and mute your phone

Questions will be answered at the end of the briefing• Send to ”Everyone” via Chat

Today’s Agenda


The HPC4Mtls Program is a DOE applied energy program

Principal laboratories:• Technical review committee participation• Compute cycle providers• Governance policy determination

All DOE national laboratories are eligible to be project participants

FUEL CELLS TECHNOLOGIES OFFICE

Program Sponsors (Round 1) Principal Laboratories (Round 1)


Longer-lasting components for highertemperature environments

Lower cost, more reactive catalysts Understanding detailed processes in

critical focus areas such as oxidation Materials for hydrogen and fuel cells Modeling aging adhesives, joints of

dissimilar materials

The HPC4Mtls Program is designed to enable a step change in the cost, development time, and performance of materials for applied energy technologies through high performance computing


High performance computing is…

leveraging “supercomputers” to advance our study of that which is otherwise too big (e.g., stars and galaxies), too small (e.g., atomic to nano-scale), too fast (e.g., nuclear fusion), too slow (e.g., cosmology), too dangerous/expensive (e.g., destructive testing)


Accelerate innovation

Increase product competitiveness

Lower energy costs

Environmental benefits

Reduce testing cycles

Reduce scale-up time

Shorten the time to market

The benefits of HPC to industry can be extraordinarily high

These all enhance economic competitiveness!

The DOE/International Data Corp. report on HPC: New results indicate high ROI returns resulting from investments in HPC

On average, from 329 case studies:– $673 in revenue per dollar

of HPC invested– $44 of profits/cost savings

per dollar of HPC invested

2016 update: http://www.hpcuserforum.com/ROI/


Industry Status:• Some larger companies use HPC, but struggle to stay

current• Few small to medium companies use HPC

DOE Status:• DOE labs possess five of the top ten HPC systems

worldwide; two of top four in Graph500• Broad expertise in the application HPC• Can be a challenge for industry to understand the

best way to partner with DOE

The HPC4Mtls Program will lower the barriers to bringing the power of HPC to this community at low risk

HPC4Mtls creates partnerships that leverage DOE lab expertise and compute resources to address critical problems in applied energy technologies


Showing what is possible with HPC through demonstration projects• DOE program office funds < $300K to laboratories (like a voucher

program)• Industry funds at least 20%; either in-kind support or optional cash

contribution• Project duration < one year

Building the HPC4Mtls community• Student intern programs• Workshops

The HPC4Mtls Program will build an ecosystem to support HPC adoption by industry


Our unique approach for building teams in the solicitation process helps ensure each project is successful

Engage industry

Match challenge

to PI

DOE approval;Feedback to

industry

Industry submits

challenges

Sign agreements

Inform industry

Concept paper Full proposal Award

Technical Review Committee

Execution streamlined through the required use of the DOE Model Short

Form Cooperative Research and Development (CRADA)

Technical Merit Review Committee• Partner labs and DOE representatives• Topical focus areas of interest to

sponsors – found in solicitation


The related HPC4Mfg Program has been extremely successful using this model• Focused on

• Improving energy efficiency inmanufacturing processes

• Developing new clean energytechnologies

• >$15M technical portfolio• Executing on nearly 50

projects with 38 industrypartners and 7 labs

• Round 5 Solicitation currentlyunderway

• $3M available• Released February 1• Concept papers due March 15


Eligibility for call• Companies that develop and/or manufacture new

or modified materials in the U.S.

Who can be funded from the program• National laboratories• In limited amounts, U.S. universities, via

sub-contract as collaborators

Industry participant cost share• At least 20% of project funding for new projects• Can be used to support internal staff• Source can not be other federal funding

Program Details: Eligibility and Funding

Required!


Used for accelerated placement and execution

Scope and IP protection defined

Industry awardees required to signDOE Model Short Form CRADA

Objections to terms and conditionscan be stated in concept paper;however, this could lead to delaysand rejection of proposal

Standard DOE Model Short Form CRADAavailable on the web site• Individual labs may have some

variances• If concept paper is selected to go

forward; the specific CRADA foryour laboratory will be sent to you

Program Details: DOE Model Short Form CRADA

Required!


Solicitation Round 1 focuses on topic areas of interest to sponsoring DOE offices

Fossil Energy Technologies:• Materials for severe

thermal and corrosiveenvironments

• Kinetics of materialsdegradation

• Scale up of production ofnew materials

• High entropy alloys• Qualification and

certification of newmaterials

Fuel Cell Technologies: • Improved performance

and durability ofelectrocatalysts

• Advanced water splittingtechnologies

• Machine Learning topredict new materialperformance

• Interactions in complexsystems

Vehicle Technologies:• Microstructure of cast

materials• Machine Learning to

identify new materialcompositions

• Improved hightemperature alloys

• Dissimilar materialsjoints

• Aging of adhesives

Projects should address one or more of the topic areas listed in the solicitation (download from hpc4mtls.org)


Two-pages; single spaced; 12 pt. font – Use the template at http://hpc4mtls.org

Key Elements• Title page• Abstract (150 words or less) - must be non-proprietary, publishable summary• Background

— Technical challenge to be addressed— State-of-the-art in this area; how this program advances that; why national lab HPC

resources are required; expertise of industry partners, etc.• Project Plan and Objectives

— Technical scope of the work and how this project fits into the overall solution strategy

— How results will be validated including availability of data— Specific simulation codes that will be used if known

• Impact— How this effort results in long-term energy savings — Development/production of new materials for energy technologies — Transformational change in energy sector and enduring economic impact— Metrics include cost savings, energy savings, and improvement in energy intensity

Concept papers are the first step:

You do not need to identify a laboratory partner up front! Just an interesting and hard problem that HPC can help address!


Six-pages; single spaced; 12 pt. font – Use the template at http://hcp4mtls.org

Key Elements• Title page• Abstract (150 words or less) - must be non-proprietary, publishable summary• Background

— Similar to concept paper• Project Plan and Objectives

— Similar to but more detailed than concept paper with specific tasks; specific simulation codes; modifications to the software needed etc.

• Tasks, Milestones, Deliverables and Schedules— Goals, timelines and due dates of milestones and deliverables from all partners;

responsible party, communication from one partner to another• Impact

— Similar to concept paper but more detailed; is this transformational for an industrial sector; what is the enduring impact; how will results be disseminated

• Implementation— How will this be incorporated into company and industry-wide operations; follow on

activities to extend this effort to solve the broader problem being addressed• Various appendices (see next slide)

Full proposals provide much more detail


Used in the review process; CRADA development process; computeresource determination, etc.

Not included in the six-page limit

Appendix A: Project summary of Tasks and Schedule (similar to projecttasks in main proposal, but used for CRADA development)

Appendix B: Project budget: costs, amount and source for participants, costshare (in-kind or cash); how funding makes a difference relative to existingfunding

Appendix C: Computational resources: computational approach,performance of the codes, resources requested (platform and core hours)

Appendix D: Pictures for publication (Photos are often used for programannouncements)

Appendix E: How the work benefits the laboratory

Appendix F: Resumes of key participants

Appendices provide additional information


Advances the current “State of the Art” in the industrial sector: takes theindustrial sector to a new level; provides a wholly new capability; or makes anexisting technology obsolete

Technical feasibility: clearly stated technical approach; description of thesoftware including needed modifications; clearly stated roles andresponsibilities; realistic timeframes; available validation data

Relevance to high performance computing: utilizes unique expertise andfacilities at DOE labs; solves a problem that could not be solved otherwise; canuse large fractions of the HPC facility to solve a large-scale problem; clearestimates of the compute cycles needed

Impact, including Lifecycle Energy Impact: clear, evidence-based energysavings with broad (national scale) impact; impact on employment andmanufacturing; clear statement of the deployment plan

Project management and team: team expertise matches the problem to besolved; modeling expertise on both lab and industry side; experts for modelvalidation if necessary; clearly stated roles and responsibilities; evidence forstrong collaboration through joint milestones

Program Details: Evaluation criteria (or how to maximize your score)


Solving fatigue issues in sCO2 HX

Team: Vacuum Process Engineering with SNL

Goal: Predict cyclical stresses in high temperature heat exchanges for supercritical CO2 applications so that fatigue life can be improved

Team: Arconic with LLNL/ORNL

Non-equilibrium grain growthGoal: Develop advanced understanding of the non-equilibrium metallic phases established during metal additive manufacturing (AM) processes

Examples: HPC4Mtls seeding projects derived from HPC4Mfg solicitation


Creating new lightweight alloys

Team: LIFT with LLNL and University of Michigan

Goal: Predict the strength of lightweight aluminum-lithium alloys produced under different process conditions; could save millions of fuel costs if used in aircraft design

Results to date: Developed new dislocation mobility laws for Al-Li alloys; examining influence of different precipitate density; predicting yield strength for differing particle sizes

Team: UTRC with ORNL/LLNL

Dendritic growth in AM partsGoal: Use HPC to model multi-scale morphology of solidification microstructure of Nickel base 718

Results to date: Predicting crystal growth over large domains from multi-component alloys using phase field approaches; moving to new alloy systems and 3D

Examples: HPC4Mfg is extending our scientific knowledge in different industrial sectors


Weld predictor tool

Team: Edison Welding Institute with ORNL/OSU

Goal: Develop an improved online welding software modeling application using advanced 3D models, more material hardening laws, and open source parallel codes

Images courtesy of EWI

Results to date: Developed new front end interface and automated meshing tools; working on new parallel simulation tools for thermal analysis, microstructure prediction, and mechanical analysis

Paper towel design

Team: Procter and Gamble with LLNL

Goal: Use HPC to evaluate different microfiber configurations to optimize drying time while maintaining user experience

Results to date: New mesh tool reduces product design cycle by 2X cycle; additional cores by another 8X; largest non benchmark run of Paradyn code at LLNL

Examples: HPC4Mfg is improving industrial workflows and speeding up modeling time using HPC


For more information on the HPC4Mtls Program

Additional information at http://hpc4mtls.org

Questions can be sent to [email protected]

Join the [email protected] list via the web to receive program announcements

Lori Diachin, Director, [email protected]

Robin Miles, Project Manager, [email protected]

mailto:[email protected]



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