Scientific Computing Within the Computational Sciences Engineering

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

CSED’s Focus is Scientific Computing Applications ! Conducts applied research in information technology, physicsbased 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 Resources: 80 staff with expertise in: · Computer science · Physics and engineering · Systems engineering · Geographic science · Remote sensing · Cognitive science 2

CSED Groups Have an Extremely Wide Problem Solving Scope COMPUTATIONAL SCIENCES & ENGINEERING DIVISION Brian A. Worley, Director Applied Software Engineering Research Geographic Information Science & Technology T. E. Potok, Group Leader B. L. Bhaduri, Group Leader Systems Engineering & Technology High Performance Information Infrastructures Technologies Cognitive Technology & Advanced Concepts R. W. Reid, Group Leader S. G. Batsell, Group Leader A. S. Brown, Group Leader Modeling & Simulation D. M. Hetrick, Group Leader Biomedical Engineering Center R. D. Komistek, Director 3

The Modeling & Simulation Group’s Core Expertise is Computational 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 Analysis of complex including CFD, biomedical, systems such as human Engineering systems fracture mechanics, brain seizures & process analyses including process environmental control systems simulation & facilities vulnerability studies 4

Scientific Focus Area: Computational Fluid Dynamics ! Coupled thermal, chemical electromagnetic, structural, metallurgical problems ! Compressible, incompressible, Newtonian, non-Newtonian, reactive fluids ! Forced, buoyancy-driven, lowgravity, laminar, turbulent, steady, unsteady flows ! Single & multi-phase, phase- change systems MSG conducted 3 D CFD analyses of SNS target to quantify mercury flows, temperatures, heat fluxes, pressures 5

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 2 D WEIBULL stress model to predict biaxial loading & its impact on material fracture toughness 6

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 visiblehuman data to study blunt-force trauma 7

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 8

Scientific Focus Area: Engineering Systems Simulation ! Facility vulnerability studies ! Advanced military systems + Accident consequences at nuclear, biological, chemical facilities F Local & regional impacts + Functional evaluation of Future Combat System F Engineering & operational influences on platform ultrareliability 9

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

Geographic Information Science & Technology Group Develops Real-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 11

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

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

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 14

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) 15

Real-Time Decision Analysis Systems ! Current work + Chemical-Biological Mass Spectrometer (CBMS II) - Multidivisional, 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 16

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 17

Applied Software Engineering Research Group Has Long History of Developing Agent-based Applications CIPHER Intrusion Detection Scientific Data Management }Intelligence Analysis VIPAR Knowledge Discovery }Cyber Security }Geospatial Analysis Supply Chain Management Agent System }Supply Chain Management Manufacturing Emulation Agent System }Lean Manufacturing Collaborative Management Environment }Scientific Data Management Neural Nets for Recovery Boiler Control }Data Fusion Neural Nets for Bankruptcy Prediction Neural Nets for Spring-back Prediction }Semantic Web 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 1985 1990 1995 2000 }FIST }DARPA }US Pacific Command }6 th Fleet }Defense Logistic Agency }Intelligence Community }Lockheed Martin }Battelle }DOE 18

VIPAR - Intelligent Approach to Information Retrieval & Interpretation ! Inside China 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 Russia Today Jakarta Post Article Retrieval Agents Organize and summarize Articles Dynamically! 19

Agent-based Cyber-security Where is your system being hit? Anon FTP NULL Port Search Engine HPS Site NR Sites Who is hitting your system? Fueleconomy. gov CSM General Scans Mail CSEP Site SN Query Failed Non-Port 80 PADS Cluster analysis of 600 top hits to ORNL Slow Port scans from 8 universities 20

Agent-based Image to Intelligence Archive : I 2 IA ! More satellite image data than ever ! Fewer trained analysts ! I 2 IA is being developed to identify “features” in satellite images & remote-sensing data § Agent technology § Geoconformace Technology § Image Analysis Technology

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 Cerebral Cyber Physical 22

High Performance Information Infrastructure 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 ! Do. D 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 23

Student Preparation ! We can offer projects with a broad range of technical rigor + Mentoring philosophy based on accommodating individual student skills F We place equal emphasis on technical background, intellectual flexibility, self-reliance, initiative ! Minimum skill set includes + Two years scientific &/or computational course work F Physics, engineering, natural sciences - Currently focused on biomedical, systems analysis F Mathematics & numerical methods - Ideally through differential equations F High-level programming languages - FORTRAN, C, C++ F PC or UNIX computing environments 24

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Scientific Focus Area: Numerical Heat Transfer ! Coupled metallurgical, fluids, structural, thermodynamics, electromagnetic problems ! ! Forward & inverse solutions ! Geometries containing multiple materials with dissimilar length scales, properties, interface characteristics + Temperature-dependent & anisotropic properties Temp, flux, convective BC’s including enclosure radiation MSG quantified 3 D heat conduction mechanisms as part of developing design for SNS target assembly 27

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 28

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 humanequipment interaction to understand trust-inautomation issues for US Army’s Future Combat System 29

Need for Population Data Led to Development of Land. Scan: 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 30