PowerPoint Presentation - Office of Science by 5w283y


									Basic Research Needs for Advanced Nuclear Energy Systems
                                         July 31–August 2, 2006
             Workshop Co-chairs                  Panels:
                                                       Materials under extreme conditions
                                                       Chemistry under extreme conditions
                                                       Separations science
                                                       Advanced actinide fuels
                                                       Advanced waste forms
                                                       Predictive modeling and simulation
                                                       Crosscutting and grand-challenge science themes
                                                 Plenary Speakers:
          Tomas Diaz             Jim                   David Hill, Tom Mulford, Sue Ion, Vic Reis
          de la Rubia          Roberto                 Steve Zinkle, Carol Burns, Thom Dunning

 Workshop Charge                                           235 attendees         US Private
 To identify basic research needs and opportunities        expected                 3%        Foreign
 in advanced nuclear energy systems and related                                                14%
 areas, with a focus on new, emerging and                    US Lab
 scientifically challenging areas that have the               38%
 potential to have significant impact in science and
 technologies. Highlighted areas will include                                                           Fed
 improved and new materials and relevant chemical                                                       23%
 processes to overcome short-term showstoppers
 and long-term grand challenges for the effective
 utilization of nuclear energy.
                                                                                US Univ
Workshop Process

 "Technology Perspectives" document distributed to all panelists
  one month in advance of the workshop
 Plenary session on DOE technology perspective, industrial
  perspective, international perspective, and science frontiers
 Breakout panels with technology resources
      Technology challenges
      Current status of research
      Basic research challenges, opportunities, and needs
      Priority research directions
      Science/technology relationships
 Plenary presentations by breakout panels at workshop midpoint
  and closing
 Full workshop report in the next 8 weeks
Advanced Nuclear Energy Systems
technology challenges

   Predictive modeling of the design and performance of advanced nuclear
    energy systems, including fuel cycle modeling, reactor systems, chemical
    separation and conversion technologies for fuel fabrication and
    reprocessing, and waste form lifetime prediction
   Radically improve the fundamental basis for developing and predicting the
    behavior of advanced fuel and waste forms, thus leading to outstanding
    fuel performance and the design of safer and more efficient nuclear energy
      Fuel fabrication and performance prediction have been treated as an empirical
       endeavor. Development of theory guided methodology is needed for a cost
       effective and less time consuming path to development of fuels with tailored
      Advanced structural materials are required that can withstand higher
       temperatures, higher radiation fields, and harsher chemical environments.
      Flexible and optimized separation and reprocessing schemes that will
       accommodate varying radiation fields generated from waste streams and input
       feeds are required
Advanced Nuclear Energy Systems
technology challenges (cont.)

 Predictive modeling of mechanical, thermal, and chemical properties of
  nuclear fuels, structural materials, and waste-form materials in high-
  radiation, high-temperature, and harsh chemical environment.
 Avoiding separated plutonium and achieving improved yield and separation
  factors in PUREX and UREX+ processes (reducing stages, reducing
 New and novel waste-form materials tailored a wide range of waste stream
  compositions from advanced fuel cycle technologies (e.g., reduced
  actinides and increased fission product concentrations).
 Long-term prediction of waste form performance (e.g., corrosion rates and
  radiation effects) in coupled, complex, natural systems.
 Proliferation resistance through physical protection and material
  accountability with improved precision in materials accountability for
  industrial-scale separations plants, including sampling methods and
Current Status of Materials and Chemical
Research for Advanced Nuclear Energy
   Most models are semi-empirical with little predictive capability
   Limited understanding of microstructural evolution, kinetics,
    thermodynamics, and chemistry under extreme conditions
   Theory and simulation inadequate to address complex, multi-component
   Limited data on transuranic incorporation and properties
   Limited capability to connect chemical and physical properties to
   Failure and corrosion mechanisms in chemical and radiation environments
    poorly understood
   Limited understanding of radiolysis and radiation chemistry in separations
   Current electronic structure methods fail for actinide materials
   No robust way to link single-scale methods into a multi-scale simulation, or
    to perform long-time dynamics calculations
Basic Research Challenges, Opportunities,
and Needs
  Understand and control chemical and physical phenomena in
  multi-component systems from femtoseconds to millennia, at
  temperatures to 1000°C, and radiation doses to hundreds of dpa

 Microstructural evolution and phase stability
 Mass transport, chemistry, and structural evolution at interfaces
 Chemical behavior in actinide and fission-product solutes
 Solution phenomena
 Nuclear, chemical, and thermomechanical phenomena in fuels and
  waste forms
 First-principles theory for f-electron complexes and materials
 Predictive capability across length and time scales
 Material failure mechanisms
Advanced actinide fuels: Basic-science
challenges, opportunities, and needs

The greatest science challenge is to understand and
predict the broad range of nuclear, chemical, and
thermo-mechanical phenomena that synergistically
interact to dictate fuel behavior.
The greatest science opportunity lies in establishing a
science base that enables us to move away from lengthy and
costly empirical approaches to fuel development and

The greatest science need is a revolutionary advance in our
ability to conduct science-driven experiments to promote
an integrated understanding of nuclear materials and their
Advanced actinide fuels: Develop a
fundamental understanding of actinide-
bearing materials properties
             Scientific challenges                             Summary of research direction

   Mystery of 5f-electron elements                         New paradigm for 5f-electron research
• Overcome limitations in current                       • Develop new quantum chemical/molecular
  experimental/theoretical approaches to                  dynamic approaches that can accommodate the
  determining/describing actinide material properties     additional complexity of 5f elements
• Fundamental understanding of thermal properties       • Utilize/develop non-conventional experimental
  of complex microstructure/composition materials         techniques to measure and model thermal
• New approach to modeling phase                          properties of complex behavior actinide materials
  stability/compatibility in complex, multicomponent    • Develop innovative defect models for multi-
  actinide systems                                        component actinide fuel/fission product systems

          Potential scientific impact                             Potential impact on ANES

   Breaking the code of fuel properties                           Beyond cook and look

• Understanding/modeling thermal properties of
                                                        • Scientific basis for nuclear fuel design
  complex materials
                                                        • Optimizing fuel development and testing
• Unique phase equilibria of 5f systems
                                                        • Reducing uncertainty in operational/safety margins
• Innovative theoretical approaches for 5f systems
• Novel experimental thermochemical techniques
                                                                                  Advanced actinide fuels
  Relationships between the Science and
  the Technology Offices in DOE
                                                                                              Technology Maturation
  Discovery Research           Use-inspired Basic Research          Applied Research
                                                                                                   & Deployment
                   Office of Science: BES                                     Applied Energy Office: NE
 New methods for               Understand and predict          Bench-scale and              Demonstration of the
  electronic structure           microstructural and chemical     laboratory-scale sample       scaling to production-
  calculations in actinides      evolution in actinide fuel       fabrication and               scale by process
 Integration of                 during irradiation               characterization              prototyping
  computational models:         Revolutionary synthesis         Out-of-pile testing for      Process control,
  atomistic to continuum         approaches and                   phenomenological              efficiency and cost
 Develop fundamental            architectures for advanced       understanding                Maintenance
  understanding of actinide-     fuel forms                      Relevant irradiations,       Quality assurance
  bearing material                                                and post-irradiation
  properties                                                      examination of samples       Development and
                                                                                                validation of fuel
 Understand fundamental                                         Transient irradiations to     licensing code for design
  reaction mechanisms that                                        study failure                 and safety basis
  control transport, and                                          mechanisms and
  consolidation of atomic                                         thresholds                   Fabrication and
  species in complex multi-                                                                     characterization of lead
                                                                 Establishment of              test assemblies
  component systems                                               experimental database
 Innovative experimental                                         and predictive               Irradiation of lead test
  methods for dynamic, in                                         correlations                  assemblies (LTAs) in
  situ measurements of                                                                          prototypic environment
                                                                 Develop fuel
  fundamental properties                                          performance code
Priority Research Directions 1 (draft)

 Microstructural evolution under extreme conditions of
  radiation, temperature, and aggressive environments
 Properties of actinide-bearing materials, including
  solution- and solid-state chemistry and condensed
  matter physics of f-electron systems
 Materials and interfaces that radically extend
  performance limits for structural applications, fuels, and
  waste forms
 Effects of radiation and radiolysis in chemical processes
  and separations
Priority Research Directions 2 (draft)

 Mastering actinide and fission-product chemistry,
  organization at multiple length scales, and non-aqueous
  and other novel approaches for next-generation
 Chemistry of liquid-solid interfaces under extreme
 Behavior of trace species in radiation environments
 Thermodynamic and kinetics of multi-component systems
 Predictive multi-scale models for materials and chemical
  phenomena in multicomponent systems under extreme
Overarching Themes

 Strongly coupled, multi-scale experimental and
  computational studies
 Nanoscale structure/dynamic and ultrafast experiments
  under realistic conditions
 New approaches for enabling access to forefront tools
  for research on radioactive materials
 An urgent need for assessment of workforce issues in
  nuclear-related research
 Recognition of safety and nonproliferation opportunities
  Relationships between the Science and
  the Technology Offices in DOE (draft)
                                                                                               Technology Maturation
  Discovery Research            Use-inspired Basic Research           Applied Research
                                                                                                    & Deployment
                    Office of Science: BES                                     Applied Energy Office: NE
 Accurate relativistic          Predict microstructural and      Rational design and          Demonstration of the
  electronic structure            chemical evolution in             development of reactor        scaling to production-
  approaches for correlated       actinide fuel, cladding and       fuels                         scale by process
  f-electron systems              structural materials during      Verified and validated        prototyping
 Integration of multi-           irradiation                       modules for reactor-level    Development and
  physics, multi-scale           Identify self-protective          multi-scale simulations       validation of fuel
  computational models:           interfacial reaction             Develop 3D fuel               licensing code for design
  atomistic to continuum          mechanisms capable of             performance code              and safety basis
 Reactivity, dynamics,           providing universal stability                                  Fabrication and
                                  in extreme environments          Laboratory-scale sample
  molecular speciation and                                          fabrication and               characterization of lead
  kinetic mechanisms at          Improve understanding of          characterization with         test assemblies
  interfaces                      coordination geometry,            relevant post-irradiation    Irradiation of lead test
 Utilize microstructure          covalency, oxidation state,       examination of samples        assemblies (LTAs) in
  control to impart radiation     and cooperative effects of                                      prototypic environment
                                                                   Demonstrating new
  resistance to structural        actinides to devise next
                                                                    separation systems at        Coupling waste form
  materials for ANES              generation separation
                                                                    bench scale                   performance to design
 Innovative experimental                                          At-scale demonstration        and performance of a
  methods for dynamic, in        Predict the behavior of waste     of waste form                 repository.
  situ measurements of            forms over millennia              performance in deep
  fundamental properties                                            geologic laboratory

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