Scientific Computing Within the Computational Sciences

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• Scientific Computing Within the Computational
  Sciences Engineering Division
• Brian A. Worley, Director
• Computational Sciences Engineering Division
• Computing Computational Sciences Directorate
• Research Alliance in Math Science
• Faculty - Mentor Workshop
• December 6-7, 2004

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CSEDs Focus isScientific Computing Applications

• Conducts applied research in information
  technology, physics-based modeling, systems
  simulation
• Numerical problem solving to gain physical
  insight
• Extract knowledge from massive distributed data
• Identify physical human events through GIS
  remote sensing
• Strategic interests include
• National security
• National energy security

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CSED Groups Focus on Scientific Computing
Applications
COMPUTATIONAL SCIENCES ENGINEERING
DIVISION Brian A. Worley, Director
Applied Software Engineering Research T. E.
Potok, Group Leader
Geographic Information Science Technology B.
L. Bhaduri, Group Leader
Systems Engineering Technology R. W. Reid,
Group Leader
Cyber Security Information Infrastructure
Research J. P. Trien, Group Leader
Information Operations Center S. A. Brown,
Director
Biomedical Engineering Center R. D. Komistek,
Director
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MSG Core Expertise isComputational Physics
Engineering

• Numerical problem solving within three classes of
  problems
• Physics-based, engineering systems, complex
  systems
• Applications include research reactors, global
  carbon sequestration, fusion energy, advanced
  military technologies, pollutant fate
  transport, biomedical simulation, manufacturing
  processes, autonomous process control systems

Physics-based modeling including CFD, biomedical,
fracture mechanics, environmental
Analysis of complex systems such as human brain
seizures, autonomous process control systems,
system-of-systems
Engineering-system simulations including
industrial processes facilities vulnerability
studies
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Scientific Focus AreaComputational Fluid
Dynamics

• Coupled thermal, chemical electromagnetic,
  structural, metallurgical problems
• Compressible, incompressible, Newtonian,
  non-Newtonian, reactive fluids
• Forced, buoyancy-driven, low-gravity, laminar,
  turbulent, steady, unsteady flows
• Single multi-phase, phase- change systems

MSG conducted 3D CFD analyses of SNS target to
quantify mercury flows, temperatures, heat
fluxes, pressures
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Scientific Focus AreaNumerical Heat Transfer

• Coupled metallurgical, fluids, structural,
  thermodynamics, electromagnetic problems
• Forward inverse solutions
• Temp, flux, convective BCs including enclosure
  radiation
• Geometries containing multiple materials with
  dissimilar length scales, properties, interface
  characteristics
• Temperature-dependent anisotropic properties

MSG quantified3D heat conduction mechanisms as
part of developing design for SNS target assembly
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Scientific Focus AreaComputational Fracture
Mechanics

• Deterministic probabilistic fracture mechanics
• Thermo-elastic-plastic stress
• Nonlinear finite-strain
• Multi-axial stress states
• Cleavage initiation w/ductile tearing

MSG developed 2D WEIBULL stress model to predict
biaxial loading its impact on material fracture
toughness
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Scientific Focus AreaComputational Physics

• Fusion plasma simulations magnetic system
  design
• Electromagnetic interactions with complex media
• Neutron time of flight
• Solid solution phase stability
• Advanced computing architectures environments
• Code development visualization software for
  distributed MPI systems

MSG fluids-based models of plasma turbulence were
critical to understanding fusion process
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Scientific Focus Area Biomedical
Simulation-Psychological

• Modeling of human cognition decision-making
• Supervisory decision making for military
  operations
• Cognitive engineering engineering psychology
• Eye gaze as input for computer control
• Cognitive workload analysis for advanced reactor
  systems

MSG simulated human-equipment interaction to
understand trust-in-automation issues for US
Armys Future Combat System
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Scientific Focus AreaEnvironmental Modeling

• Pollutant entry into dynamics within the
  environment
• Intramedia advection, diffusion, transformation
• Intermedia deposition, evaporation, adsorption
• Air, water, sediment, soil, fractured media
• Scales building interiors, industrial sites,
  river systems, regional, global
• Deterministic probabilistic studies

MSG models atmospheric hydrological dispersion
of chemical, biological, radiological releases
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Scientific Focus AreaEngineering Systems
Simulation

• Facility vulnerability studies
• Accident consequences at nuclear, biological,
  chemical facilities
• Local regional impacts

• Advanced military systems
• Functional evaluation of Future Combat System
• Engineering operational influences on platform
  ultrareliability

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Analysis of Complex SystemsMedical Diagnosis
Event Forewarning
Scalp EEG Data Describing Epileptic Seizure
Normal
Preseizure
Phase Space
PS Distribution Function
Epileptic seizure event
MSG classified pulmonary fibrosis using
inspiratory crackles higher order spectral
analysis
Forewarning
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Systems Engineering Technology Group Develops
Scientific Data Management Software

• Distributed federated databases
• Pioneering work in XML, RDF, Semantic web
• Collaborative Management Environment - Being
  deployed throughout DOE system
• Mercury receives certificate of recognition in
  the advancement of the space aeronautical
  activities of NASA
• Intelligent software agents
• Novel approaches to dynamic information retrieval
  analysis
• Two patents granted, one additional pending
• Visualization
• Leading efforts in resource aware scientific
  visualization
• Recently highlighted in a National Geographic
  special
• Data Analysis
• Original work in cluster analysis feature
  extraction
• Widely published

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MERCURY Manage, Store, Distribute, Analyze
Large-scale Distributed Data

• Build upon our expertise experience with
  existing scientific programs
• Carbon Dioxide Information Analysis Center
  (CDIAC)
• Distributed Active Archive Center (DAAC)
• Current proposed national security projects that
  leverage underlying sciences
• FBI Cultural Database
• Law Enforcement Systems
• Terrorist Information Processing Sciences (TIPS)

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Real-Time Decision Analysis Systems

• Current work
• Chemical-Biological Mass Spectrometer (CBMS II) -
  Multi-divisional, U.S. Army sponsor, RD 100
  winner
• Objective Supply Capability Adaptive Redesign
  (OSCAR) - National Guard Bureau sponsor
• Spin offs
• System engineering for follow-on chem-bio sensor
  systems
• Real-time integration of quantitative CBMS with
  HPAC for situation awareness beyond the
  battlefield
• OSCAR technology for Army/USMC

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SENSORNET
Many Applications
Many Sensors
Radiological
Data Highway
Total Situation Awareness
Ubiquitous, Securable, Scalable, and Reliable
Open and Extensible
Plug and Play
Chemical
Performance Support
Meteorological
Open GIS Web Feature Service
IEEE 1451
IP
Analysis, Modeling, and Prediction
Interoperability Standards Net-Centric Data
Services Architecture
Biological
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Applied Software Engineering ResearchGroup Has
Long History ofDeveloping Agent-based
Applications
CIPHER Intrusion Detection

• Intelligence Analysis
• Cyber Security
• Geospatial Analysis
• Supply Chain Management
• Lean Manufacturing
• Scientific Data Management
• Data Fusion
• Semantic Web

Scientific Data Management
VIPAR Knowledge Discovery
Supply Chain Management Agent System
Manufacturing Emulation Agent System
Collaborative Management Environment

• FIST
• DARPA
• US Pacific Command
• 6th Fleet
• Defense Logistic Agency
• Intelligence Community
• Lockheed Martin
• Battelle
• DOE

1985
1990
1995
2000
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VIPAR - Intelligent Agent Approach to Information
Retrieval Interpretation

• US Pacific Commands CINC Admiral Blair
• A tremendously successful project
• Software agents lead to substantially improved
  analytical products.
• Science and Technology Advisor
• a grand slam home run!
• first time we've seen information discovery and
  knowledge management software working at HQ
  USCINCPAC operationally.

Automatically Gather, Dynamically Organizes,
Summarizes Thousands of Documents
Inside China
Russia Today
Jakarta Post
Organize and summarize Articles Dynamically!
Article Retrieval Agents
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Agent-based Cyber-security
Where is your system being hit?
Who is hitting your system?
Cluster analysis of 600 top hits to ORNL
Slow Port scans from 8 universities
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Agent-based Image to Intelligence Archive I2IA

• More satellite image data than ever
• Fewer trained analysts
• I2IA is being developed to identify features in
  satellite images remote-sensing data
• Agent technology
• Geoconformace Technology
• Image Analysis Technology

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Student Preparation

• We can offer projects with a broad range of
  technical rigor
• Therefore - mentoring philosophy based on
  accommodating individual student skills
• Accordingly - we place equal emphasis on
  technical background, intellectual flexibility,
  self-reliance, initiative
• Minimum skill set includes
• Two years scientific /or computational course
  work
• Physics, engineering, natural sciences
• Currently focused on biomedical, systems analysis
• Mathematics numerical methods
• Ideally through differential equations
• High-level programming languages
• FORTRAN, C, C, JAVA, etc.
• PC or UNIX computing environments

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Questions ?
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Contact Information

• Primary CSED contact
• Brian A. Worley, Director
• Computational Sciences and Engineering Division
• Oak Ridge National Laboratory
• P.O. Box 2008, Oak Ridge, TN 37831-6082
• Phone/FAX/Email [phone]/574-6275/worleyba
  _at_ornl.gov

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