Scientific Computing Within the Computational Sciences & Engineering Division

1. Scientific Computing Within the Computational Sciences & Engineering Division David M. Hetrick, Group Leader Modeling & Simulation Group Computational Sciences & Engineering Division Research Alliance for Minorities Workshop May 20, 2003

2. Resources: • 80 staff with expertise in: • Computer science • Physics and engineering • Systems engineering • Geographic science • Remote sensing • Cognitive science CSED’s 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

3. Modeling & Simulation D. M. Hetrick, Group Leader CSED Groups Have an Extremely Wide Problem Solving Scope 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 High Performance Information Infrastructures Technologies S.G. Batsell, Group Leader Cognitive Technology & Advanced Concepts A.S. Brown, Group Leader Biomedical Engineering Center R. D. Komistek, Director

4. Physics-based modeling including CFD, biomedical, fracture mechanics, environmental Analysis of complex systems such as human brain seizures & process control systems Engineering systems analyses including process simulation & facilities vulnerability studies The Modeling & Simulation Group’s 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

5. Scientific Focus Area:Computational 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

6. Scientific Focus Area:Computational 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

7. Scientific Focus Area: Biomedical Simulation-Physiological • Digital Human Initiative: predict & visualize human response to trauma, drugs, disease, aging • Engineering Simulations: physics-based physiological modeling of organ systems - cardiovascular & orthopedics • Data Analysis: nonlinear & higher-order-spectral analysis of medical time-serial data MSG developed finite-element models directly from visible-human data to study blunt-force trauma

8. Scientific Focus Area:Environmental 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

9. 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 Scientific Focus Area:Engineering Systems Simulation

10. Nonlinear analysis of chaotic time-serial data Event forewarning Medical & industrial Intelligent systems Collaborating software agents permit global management of complex processes MissionModule Self-Reference Module Inhalation Inspriatory Crackles Agent-augmented Enterprise Model PhysicsModule EnvironmentalModule Exhalation Decision Module Reliability-Agent Network-Agent Agent Smart-Sensor Scientific Focus Area:Analysis of Complex Systems Inspiratory crackles late in breathing cycle may indicate pneumonia

11. Geographic Information Science & Technology Group DevelopsReal-Time Geo-registered Data Bases • Features include terrain, roads, buildings, rivers, land cover • Sensor sources include • Acoustic data • Thermal data • Motion sensors • Soil properties • Pictures, movies • Chemical & biological samples • Electromagnetic fields & signals • 10000 CDs of digital data

12. LandScan USA 2000 30 arc second 3 arc second Large-Scale Spatial Data Modeling LandScan: Innovative approach combining GIS & RS techniques to produce 2400 times finer global population Addresses: • Regional Conflict • Casualty Estimation • Terrorism • Humanitarian Relief

13. Data Integration & Visualization 3D Digital Models & Advanced Visualization in Virtual Reality Environment Addresses: Urban warfare Threat Assessment Mission Planning

14. 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

15. 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)

16. Real-Time Decision Analysis Systems • Current work • Chemical-Biological Mass Spectrometer (CBMS II) - Multi-divisional, U.S. Army sponsor, R&D 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

17. SENSORNET: Real-time Nationwide Detection & Assessment of CBRN Threats Automated Hazards Analysis Strategic Sites Remote Telemetry Sensor Systems Communications National Operations Centers Nationwide Field Service

18. Neural Nets for Recovery Boiler Control Neural Nets for Bankruptcy Prediction Neural Nets for Spring-back Prediction Collaborative Design System Neural Nets for Resistance. Spot Welding Neural Nets for Material Mix Optimization Genetic Algorithms for Chemical Synthesis Knowledge-based Systems - Manufacturing Advisors Knowledge-based Systems for Constructability Design and Analysis of Computer Experiments Knowledge-based Computer Systems Calibration 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

19. VIPAR - Intelligent Agent Approach to Information Retrieval & Interpretation • US Pacific Command’s 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

20. NULL Port NR Sites Anon FTP HPS Site Search Engine Fueleconomy.gov CSM General Scans SN Query Failed Mail CSEP Site Non-Port 80 PADS 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

21. 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

22. Cerebral Cyber Physical Cognitive Technology & Advanced Concepts Group Conducts Biometrics Research • Systems that exploit cerebral-, physical-, cyber-space • Individual & team strategies for accessing & processing information • Vehicle security using voice, brain, &/or retinal recognition • Wireless computer displays operated via voice commands

23. High Performance InformationInfrastructure Technologies Group Focus on Large-Scale Networks • Distributed Intrusion Detection • Large-scale distributed collection, fusion, response to both signatures & anomalies. • Cyber Strategy & Tactics • Response to insider, lifecycle, & sophisticated external attacks • DoD Networks: Information Assurance & Vulnerability Assessment • Large-scale-network mapping, vulnerability assessment, & patching capabilities • Real-time situation-awareness, cyber command & control, simulation & emulation • Insider Threats • Detection, analysis, response, prosecution

24. Student Preparation • We can offer projects with a broad range of technical rigor • Mentoring philosophy based on accommodating individual student skills • 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++ • PC or UNIX computing environments

25. Questions ?

26. Backups

27. Scientific Focus Area:Numerical Heat Transfer • Coupled metallurgical, fluids, structural, thermodynamics, electromagnetic problems • Forward & inverse solutions • Temp, flux, convective BC’s 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

28. Scientific Focus Area:Computational 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

29. 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 Army’s Future Combat System

30. Need for Population Data Led to Development of LandScan: New Federal Standard For World Population Data • Used by DOD, State Department, other federal and international agencies • Finest resolution ever for the entire world • First based on satellite imagery • Age/sex distributions • Day/night estimates under development