The objective of this project is to: (1) Develop a database of additional and better maturity indicators for paleo-heat flow calibration; (2) Develop maturation models capable of predicting the chemical composition of hydrocarbons produced by a specific kerogen as a function of maturity, heating rate, etc.; assemble a compositional kinetic database of representative kerogens; (3) Develop a 4 phase equation of state-flash model that can define the physical properties (viscosity, density, etc.) of the products of kerogen maturation, and phase transitions that occur along secondary migration pathways; (4) Build a conventional basin model and incorporate new maturity indicators and data bases in a user-friendly way; (5) Develop an algorithm which combines the volume change and viscosities of the compositional maturation model to predict the chemistry of the hydrocarbons that will be expelled from the kerogen to the secondary migration pathways; (6) Develop an algorithm that predicts the flow of hydrocarbons along secondary migration pathways, accounts for mixing of miscible hydrocarbon components along the pathway, and calculates the phase fractionation that will occur as the hydrocarbons move upward down the geothermal and fluid pressure gradients in the basin; and (7) Integrate the above components into a functional model implemented on a …

The objective of this project is to: (1) Develop a database of additional and better maturity indicators for paleo-heat flow calibration; (2) Develop maturation models capable of predicting the chemical composition of hydrocarbons produced by a specific kerogen as a function of maturity, heating rate, etc.; assemble a compositional kinetic database of representative kerogens; (3) Develop a 4 phase equation of state-flash model that can define the physical properties (viscosity, density, etc.) of the products of kerogen maturation, and phase transitions that occur along secondary migration pathways; (4) Build a conventional basin model and incorporate new maturity indicators and data bases in a user-friendly way; (5) Develop an algorithm which combines the volume change and viscosities of the compositional maturation model to predict the chemistry of the hydrocarbons that will be expelled from the kerogen to the secondary migration pathways; (6) Develop an algorithm that predicts the flow of hydrocarbons along secondary migration pathways, accounts for mixing of miscible hydrocarbon components along the pathway, and calculates the phase fractionation that will occur as the hydrocarbons move upward down the geothermal and fluid pressure gradients in the basin; and (7) Integrate the above components into a functional model implemented on a …

The objective of this project is to: (1) Develop a database of additional and better maturity indicators for paleo-heat flow calibration; (2) Develop maturation models capable of predicting the chemical composition of hydrocarbons produced by a specific kerogen as a function of maturity, heating rate, etc.; assemble a compositional kinetic database of representative kerogens; (3) Develop a 4 phase equation of state-flash model that can define the physical properties (viscosity, density, etc.) of the products of kerogen maturation, and phase transitions that occur along secondary migration pathways; (4) Build a conventional basin model and incorporate new maturity indicators and data bases in a user-friendly way; (5) Develop an algorithm which combines the volume change and viscosities of the compositional maturation model to predict the chemistry of the hydrocarbons that will be expelled from the kerogen to the secondary migration pathways; (6) Develop an algorithm that predicts the flow of hydrocarbons along secondary migration pathways, accounts for mixing of miscible hydrocarbon components along the pathway, and calculates the phase fractionation that will occur as the hydrocarbons move upward down the geothermal and fluid pressure gradients in the basin; and (7) Integrate the above components into a functional model implemented on a …

The objective of this project is to: (1) Develop a database of additional and better maturity indicators for paleo-heat flow calibration; (2) Develop maturation models capable of predicting the chemical composition of hydrocarbons produced by a specific kerogen as a function of maturity, heating rate, etc.; assemble a compositional kinetic database of representative kerogens; (3) Develop a 4 phase equation of state-flash model that can define the physical properties (viscosity, density, etc.) of the products of kerogen maturation, and phase transitions that occur along secondary migration pathways; (4) Build a conventional basin model and incorporate new maturity indicators and data bases in a user-friendly way; (5) Develop an algorithm which combines the volume change and viscosities of the compositional maturation model to predict the chemistry of the hydrocarbons that will be expelled from the kerogen to the secondary migration pathways; (6) Develop an algorithm that predicts the flow of hydrocarbons along secondary migration pathways, accounts for mixing of miscible hydrocarbon components along the pathway, and calculates the phase fractionation that will occur as the hydrocarbons move upward down the geothermal and fluid pressure gradients in the basin; and (7) Integrate the above components into a functional model implemented on a …

Urban areas are likely locations for release of toxic material into the atmosphere, whether by accident or terrorist act. Both the Department of Energy, through the Chemical and Biological National Security Program, and the Department of Defense, through the Defense Threat Reduction Agency, are supporting simulation and experimental efforts to develop urban modeling capabilities. These developed tools would be used in response to the release of toxic material in populated urban centers. We are developing a capability to predict the detailed flow and dispersion in and around population centers, to address issues of response to release of toxic agents into the atmosphere. Due to the complexity of these problems and their great demand on computing power, the scientific community has not had the ability to address the urban problem previously. LLNL's unique combination of modeling capability and access to terascale computing resources allows us to address such problems. However, in regions with such small scale features and with heterogeneous building configurations and complex terrain, classical approaches with simplifying assumptions are no longer valid. Turbulence closure approximations that are employed in models with 5km resolution are inappropriate when the resolution is 3 orders of magnitude finer. Also, closure assumptions based on …

During robot path planning and control the equations that describe the robot motions are determined and solved. Historically these expressions were derived analytically off-line. For robots that must adapt to their environment or perform a wide range of tasks, a way is needed to rapidly re-derive these expressions to take into account the robot kinematic changes, such as when a tool is added to the end-effector. The JFKengine software was developed to automatically produce the expressions representing the manipulator arm motion, including the manipulator arm Jacobian and the forward kinematic expressions. Its programming interface can be used in conjunction with robot simulation software or with robot control software. Thus, it helps to automate the process of configuration changes for serial robot manipulators. If the manipulator undergoes a geometric change, such as tool acquisition, then JFKengine can be invoked again from the control or simulation software, passing it parameters for the new arm configuration. This report describes the automated processes that are implemented by JFKengine to derive the kinematic equations and the programming interface by which it is invoked. Then it discusses the tree data structure that was chosen to store the expressions, followed by several examples of portions of expressions …

NERI Project No.2000-0109 began in August 2000 and has three tasks. The first project year addressed Task 1, namely development of nonlinear prognostication for critical equipment in nuclear power facilities. That work is described in the first year's annual report (ORNLTM-2001/195). The current (second) project year (FY02) addresses Task 2, while the third project year will address Tasks 2-3. This report describes the work for the second project year, spanning August 2001 through August 2002, including status of the tasks, issues and concerns, cost performance, and status summary of tasks. The objective of the second project year's work is a compelling demonstration of the nonlinear prognostication algorithm using much more data. The guidance from Dr. Madeline Feltus (DOE/NE-20) is that it would be preferable to show forewarning of failure for different kinds of nuclear-grade equipment, as opposed to many different failure modes from one piece of equipment. Long-term monitoring of operational utility equipment is possible in principle, but is not practically feasible for the following reason. Time and funding constraints for this project do not allow us to monitor the many machines (thousands) that will be necessary to obtain even a few failure sequences, due to low failure rates (<10{sup …

The overall strategy was to create a series of isogenic human cell lines that differ in key elements of cell cycle checkpoint, apoptosis, or DNA repair in response to radiation-induced damage. The goal then was to quantify the fractions of cells within a population that exhibit reduced telomere lengths and relate this to the genetic background of the cell, as well as to the response to ionizing radiation. Association between telomere length and degree of genomic instability in the population is being examined for seven closely related cell lines, that vary in p53 status, bcl-2 status, or ability to repair double strand breaks. Experiments utilize gamma rays at doses of 0, 10, and 200 cGy. During this time period the effort concentrated on generating data with two cell lines. Approximately one-third of the required clones were isolated, and analyses for mutagenesis and chromosome aberrations were undertaken.

The U.S. Army is faced with the challenge of dramatically improving its war fighting capability through advanced technologies. Any new technology must provide significant improvement over existing technologies, yet be reliable enough to provide a fielded system. The focus of this paper is to assess the novelty and maturity of agent technology for use in the Future Combat System (FCS). The FCS concept represents the U.S. Army's ''mounted'' form of the Objective Force. This concept of vehicles, communications, and weaponry is viewed as a ''system of systems'' which includes net-centric command and control (C{sup 2}) capabilities. This networked C{sup 2} is an important transformation from the historically centralized, or platform-based, C{sup 2} function since a centralized command architecture may become a decision-making and execution bottleneck, particularly as the pace of war accelerates. A mechanism to ensure an effective network-centric C{sup 2} capacity (combining intelligence gathering and analysis available at lower levels in the military hierarchy) is needed. Achieving a networked C{sup 2} capability will require breakthroughs in current software technology. Many have proposed the use of agent technology as a potential solution. Agents are an emerging technology, and it is not yet clear whether it is suitable for addressing the …

This workshop was the first major activity in developing a strategic plan for high-performance networking in the Office of Science. Held August 13 through 15, 2002, it brought together a selection of end users, especially representing the emerging, high-visibility initiatives, and network visionaries to identify opportunities and begin defining the path forward.

The objectives of this research project are to significantly extend the theoretical foundation and the modeling of radiation-induced microstructural changes in structural materials used in Generation IV nuclear reactors, and to derive from these microstructure models the constitutive laws for void swelling, irradiation creep and stress-induced swelling, as well as changes in mechanical properties. The need for the proposed research is based on three major developments and advances over the past two decades. First, new experimental discoveries have been made on void swelling and irradiation creep which invalidate previous theoretical models and empirical constitutive laws for swelling and irradiation creep. Second, recent advances in computational methods and power make it now possible to model the complex processes of microstructure evolution over long-term neutron exposures. Third, it is now required that radiation-induced changes in structural materials over extended lifetimes be predicted and incorporated in the design of Generation IV reactors. Our approach to modeling and data analysis is a dual one in accord with both the objectives to simulate the evolution of the microstructure and to develop design equations for macroscopic properties. Validation of the models through data analysis is therefore carried out at both the microscopic and the macroscopic levels. …