an overview of - neup · workflow management existing production tools high-fidelity tools neams...

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Office of

Nuclear Energy

PreparedforNEAMSWorkbenchCollaborators

BradleyT.Rearden,Ph.D.Leader,NEAMSIntegrationProductLine

November2017

AnOverviewof

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• Enabletransformativescientificdiscoveryandinsightsotherwisenotattainableoraffordable

• Solveproblemsidentifiedassignificantbyindustry,andconsequentlyexpandvalidation,application,andlong-termutilityoftheseadvancedtools

• Enhanceopportunityforindustrytocommercializeadvancedconcepts

• Allowindustrytoimplementinnovationsthatimprovetheeconomicsofbothexistingandfuturenuclearpowerplants

NuclearEnergyAdvancedModelingandSimulation(NEAMS)

The NEAMS Mission: provide leading-edge computational tools, currently not available to industry, for accelerating early-stage development of advanced reactor concepts and promoting innovative solutions to important nuclear industry problems; these advanced M&S capabilities will –

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NEAMSOrganizationalStructure

Develop, apply, deploy, and support a predictive modeling and simulation toolkit for

the design and analysis of current and future nuclear energy systems using

computing architectures from laptops to leadership class facilities.

IntegrationProductLineBradRearden

(ORNL)

Fuels Product

Line

Steve Hayes (INL)

ATF HIP

Jason Hales (INL)

Reactors

Product Line

Tanju Sofu (ANL)

SGFIV HIP

Elia Merzari(ANL)

National

Technical

Director

Chris Stanek (LANL)

Leadership Council

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NEAMSMissionAreasNational Technical Director

Chris Stanek (LANL)

Fuels

Steve Hayes (INL) Bison Marmot Focus Problems

Reactors

Tanju Sofu (ANL) SHARP(Nek5000, Diablo, et al)

SAM Focus Problems

Integration

Brad Rearden (ORNL)NEAMS

WorkbenchDeployment

Cross-Cutting

Capabilities

Operations Support

University Programs

Small Business Innovation

Research

User Groups

International

Collaborations

Accident Tolerant Fuels

Jason Hales (INL)

Steam Generator FIV

Elia Merzari (ANL)

TREAT M&S

Mark DeHart (INL)

High Impact Problems

NE Mission Support

Investments

Product Lines

Quality AssuranceUncertainty

QuantificationFocus Problems

Benchmark Handbooks

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• Empiricalmodelscanaccuratelyinterpolatebetweendata,butcannotaccuratelyextrapolateoutsideoftestbounds

• Goal:Developimproved,mechanistic,andpredictivemodelsforfuelperformanceusinghierarchical,multiscalemodeling- appliedtoexisting,advanced(includingaccidenttolerant)andusedfuel.

NEAMS- FuelsProductLine(FPL)

Atomistic simulations Meso-scale models

Engineering scale

fuel performance

Degrees of freedom,

operating conditions

• Identify important mechanisms

• Determine material parameter

values• Predict fuel

performance

and failure

probability

• Predict microstructure evolution

• Determine effect of evolution on

material properties

Mesoscale-informed

materials models

BISONMARMOT

FPL

Atomistically-informed

parameters

Multiphysics Object-Oriented Simulation

Environment

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NEAMS- ReactorsProductLine(RPL)RPL Focus:

• System Analysis Module (SAM)

• Simulation-based High-fidelity Advanced Reactor Prototyping (SHARP)§ Pin-by-pin neutronics, T/H, CFD and CSM modules

§ Capabilities to integrate these modules for multi-physics simulations

§ Primarily targets leadership class computing platforms

§ A range of reduced-order models/methods are also being pursued for more common computing

platforms

RPL

SHARPiscomprisedofseveralphysicalmodelingtoolsandcapabilitytointegratethesetoolsformulti-physicsanalyses§ PROTEUS/MC2-3/PERSENTfor

neutronics§ Nek5000forCFDandT/H§ Diabloforstructuralmechanics§ SIGMAinterfaceformulti-physics

coupling

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• NEAMSFPLandRPLprovidemanyadvancedtools,buttheyoftenrequirelargecomputationalresources,canbedifficulttoinstall,andrequireexpertknowledgetooperate.

• Goal:Respondtoneedsofdesignandanalysiscommunitiesbyintegratingrobustmulti-physicscapabilitiesandcurrentproductiontoolsineasy-to-useversioneddeploymentsthatenableenduserstoapplyhigh-fidelitysimulationstoinformlower-ordermodelsforthedesign,analysis,andlicensingofadvancednuclearsystems.

NEAMS- IntegrationProductLine(IPL)IPL

n Desiredattributes:

• Convenientaccesstohigh-fidelitysimulationstoinformlower-ordermodels

• Commonuserinterface• Simplifiedcommon

inputtomanycodes• Visualization

• Deployment• Qualityassurance• Verificationand

validation• Uncertainty

quantification• Applicationtodesign

systemsandrecognizedbenchmarks

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• Integratecurrentproductiontoolswithadvancedtoolsunderanintegrateduserinterfaceandworkflowmanager

• LeveragemodernuserinterfacefromSCALE,whichisco-sponsoredbyNRC

• Leveragetemplating/inputexpansionenginefromUNF-ST&DARDSandSCALEsothatengineeringparameterscanbeexpandedtospecificinputforanalysiswithvaryinglevelsoffidelityinseveralcodes

• Desiretointegratemanytoolsformanytypesofsystemsanddemonstrateuseofhigh-fidelitysimulationstoinformlowerordermodels

TheNEAMSWorkbench

IntegratedUserInterfaceandInput

AnalysisWorkflow

Management

ExistingProduction

ToolsHigh-Fidelity

Tools

NEAMSWorkbench

IPL

UserInterface:InputGeneration,JobLaunch,OutputReview,Visualization

SystemTemplatesandWorkflowManager

CrossSectionPreparation

SCALE/XSProc

MC2-3

Neutronics

DIF3D

PARCS

MPact

Proteus

MCNP

Shift

Depletion/SourceTerms

REBUS

ORIGEN2.2

ORIGEN

ThermalHydraulics/PlantSystems

SAS4A/SASSYS

SE2-ANL

RELAP-5

TRACE

SAM

RELAP-7

NEK5000

FuelPerformance

LIFE-METAL

PARFUME

BISON

MARMOT

StructuralAnalysis

NUBOW

DIABLO

UncertaintyQuantification

PERSENT

Sampler

Dakota

ProductionTools

NEAMS

CASL

Other

Workflow Manager Guides Physics

and Data ExchangesU

ser

Sele

cts

Desir

ed

Fid

elity

of

Ph

ysic

s

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NEAMS–WorkbenchUserInterfaceSnapshotofFulcrum(fromSCALE)

DataVisualization

TextInputPreferredbyExpertUserswithHighlightingandErrorDetection OptionalComponentInput

PreferredbyNoviceorOccasionalUsers

GeometryVisualization

MeshResultsOverlay

IPL

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TemplatedCommonInput–UsewithManyCodes

SimilartoCASLVERA-INconcept;LeveragesTemplateEngineusedfor

UNF-ST&DARDSandSCALE

Engineering-style

problemspecificinput(typeofsystem,materials,dimensions,timesteps,etc)

TemplateEngine

Expansion

Inputfor

CodeC

Inputfor

CodeB

Inputfor

CodeA

Databaseofsupported

systemconfigurations• Knownsystemsandcustomizablefeatures• Inputrequirementsandoptionsforeach

code• Codeandproblemspecificinformation

(meshgeometry,etc.)

IPL

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• ARCsuiteofcodesdevelopedatANLwith>30yearsofexperience:• Highlyefficient• Goodaccuracy(validated)

• Differentcodesuse:• Similardesigninformation• Differentinputlogic

• Scriptsweredevelopedbyuserstoassistwithinputgeneration

Ø DifficultfornewuserstogetstartedØ Limitedusercommunity

WorkbenchIntegrationofLegacyCodes:AdvancedReactorCodes(ARC)

ETOE-2/MC2-3(Slowingdownequation

solver)

ENDF/B(Evaluationnuclear

datafiles)

Reactordesignparameters

Multi-groupcrosssections

DIF3D/REBUS-3(Fluxsolverandfuelcycleperformanceanalysis)

Powerdistribution,depletiondata,etc.

SNE-ANL(Steady-statethermal-hydraulicanalysis)

Temperatureandflowdistributions

PERSENT(VARI3D)(Perturbationtheory

solver)

Reactivityfeedbacksandkineticsdata

SASSYS/SAS4A(Transitionanalysis)

Reactorbehaviorintransitions

Transitionscenarios Plantinformation

Fuelmanagementstrategies

LIFE-Metal

(Fuel performance)

NUBOW3D

(mechanical behavior)

Shielding

IPL

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• ConvenientinputstructurebasedonMCNPlogic:• Wellknownlogic• Veryflexibleandcompatiblewitha

widerangeofothercodes(PROTEUS,MCNP,etc.)

• Developedinclosecollaborationwith:• ARCcodesystemusers• Codedevelopers

• Challenges:• Keepinputsimple/attractivewhile

compatiblewithdeterministiccodes’specificoptions

• Interpretcomplexmodelsandtranslateforlowerfidelitycodeinputs

WorkbenchIntegrationofLegacyCodes:AdvancedReactorCodes(ARC)

WorkflowManager• Pre-processing:

• Atomdensity calculation• Thermalexpansion• …

• Translationintocodes’inputlanguage• Runtimeenvironment

ARCCodeInputs

DIF3D

REBUS

PERSENT

MCC3

Convenient“standard”inputdefinitionandtemplates

Real-timeinput

validation

Autocompletion

IPL

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• MOOSEapplicationseasilyenabledunderWorkbenchwithuniforminputstandardsavailablethroughMOOSE

• RuntimeupdatedtoexecuteBISON

• MOOSE’sinputmoduleupdatedtogeneratefilesneededbyWorkbench,evenfornewapplicationsevenwhengeneratedbyexternalteams

WorkbenchIntegrationofModernCodes:MOOSE/BISON

IPL

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OngoingandNear-TermCodeIntegrationPlansfortheNEAMSWorkbench

Tool ApplicationProduction

ToolNEAMSTool

IntegrationLead

BISON Fuelperformance x ORNL

MOOSE Generalpurposemultiphysics framework x ORNL/INL

Warthog Multiphysicsneutronicsandfuelperformance x ORNL

ARC Fastreactoranalysis x x ANL

SCALEWidely-usedmultipurpose neutronicsandshieldinganalysis x x ORNL

Dakota Uncertaintyquantificationandmodeloptimization x x SNL/ORNL

VisIt MeshVisualization x x LBNL

PROTEUSThree-dimensional unstructured gridfiniteelementneutrontransportsolver x RPI

MCNP Widely-used MonteCarloradiationtransportcode x RPI

IPL