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DOE OSTI2013

Analysis of SPR salt cavern remedial leach program 2013.

The storage caverns of the US Strategic Petroleum Reserve (SPR) exhibit creep behavior resulting in reduction of storage capacity over time. Maintenance of oil storage capacity requires periodic controlled leaching named remedial leach. The 30 MMB sale in summer 2011 provided space available to facilitate leaching operations. The objective of this report is to present the results and analyses of remedial leach activity at the SPR following the 2011 sale until mid-January 2013. This report focuses on caverns BH101, BH104, WH105 and WH106. Three of the four hanging strings were damaged resulting in deviations from normal leach patterns; however, the deviations did not affect the immediate geomechanical stability of the caverns. Significant leaching occurred in the toes of the caverns likely decreasing the number of available drawdowns until P/D ratio criteria are met. SANSMIC shows good agreement with sonar data and reasonably predicted the location and size of the enhanced leaching region resulting from string breakage.

Weber, Paula D.↗

DOE OSTI2013

Extending molecular simulation time scales: Parallel in time integrations for high-level quantum chemistry and complex force representations

Parallel in time simulation algorithms are presented and applied to conventional molecular dynamics (MD) and ab initio molecular dynamics (AIMD) models of realistic complexity. Assuming that a forward time integrator, f (e.g., Verlet algorithm), is available to propagate the system from time t{sub i} (trajectory positions and velocities x{sub i} = (r{sub i}, v{sub i})) to time t{sub i+1} (x{sub i+1}) by x{sub i+1} = f{sub i}(x{sub i}), the dynamics problem spanning an interval from t{sub 0}…t{sub M} can be transformed into a root finding problem, F(X) = [x{sub i} − f(x{sub (i−1})]{sub i} {sub =1,M} = 0, for the trajectory variables. The root finding problem is solved using a variety of root finding techniques, including quasi-Newton and preconditioned quasi-Newton schemes that are all unconditionally convergent. The algorithms are parallelized by assigning a processor to each time-step entry in the columns of F(X). The relation of this approach to other recently proposed parallel in time methods is discussed, and the effectiveness of various approaches to solving the root finding problem is tested. We demonstrate that more efficient dynamical models based on simplified interactions or coarsening time-steps provide preconditioners for the root finding problem. However, for MD and AIMD simulations, such preconditioners are not required to obtain reasonable convergence and their cost must be considered in the performance of the algorithm. The parallel in time algorithms developed are tested by applying them to MD and AIMD simulations of size and complexity similar to those encountered in present day applications. These include a 1000 Si atom MD simulation using Stillinger-Weber potentials, and a HCl + 4H{sub 2}O AIMD simulation at the MP2 level. The maximum speedup ((serial execution time)/(parallel execution time) ) obtained by parallelizing the Stillinger-Weber MD simulation was nearly 3.0. For the AIMD MP2 simulations, the algorithms achieved speedups of up to 14.3. The parallel in time algorithms can be implemented in a distributed computing environment using very slow transmission control protocol/Internet protocol networks. Scripts written in Python that make calls to a precompiled quantum chemistry package (NWChem) are demonstrated to provide an actual speedup of 8.2 for a 2.5 ps AIMD simulation of HCl + 4H{sub 2}O at the MP2/6-31G* level. Implemented in this way these algorithms can be used for long time high-level AIMD simulations at a modest cost using machines connected by very slow networks such as WiFi, or in different time zones connected by the Internet. The algorithms can also be used with programs that are already parallel. Using these algorithms, we are able to reduce the cost of a MP2/6-311++G(2d,2p) simulation that had reached its maximum possible speedup in the parallelization of the electronic structure calculation from 32 s/time step to 6.9 s/time step.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

High Fidelity Simulations of Large-scale Wireless Networks (Part II - FY2017)

The ability to simulate wireless networks at large-scale for meaningful amount of time is considerably lacking in today's network simulators. For this reason, many published work in this area often limit their simulation studies to less than a 1,000 nodes and either over-simplify channel characteristics or perform studies over time scales much less than a day. In this report, we show that one can overcome these limitations and study problems of high practical consequence. This work presents two key contributions to high fidelity simulation of large-scale wireless networks: (a) wireless simulations can be sped up by more than 100X in runtime using ideas from spatial indexing algorithms and clipping of negligible signals and (b) clustering and task-oriented programming paradigm can be used to reduce inter- process communication in a parallel discrete event simulation resulting in a better scaling efficiency.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1981

AVE-SEASAME 5: 25-mb sounding data

The rewinsonde sounding program for the AVE-SESAME 5 experiment is described and tubulated data at 25 mb intervals are presented for the 23 National Weather Service stations and 20 special stations participating in the experiment. Soundings were taken at 3-hr intervals beginning at 1200 GMT on May 20, 1979, and ending at 1200 GMT on may 21, 1979 (nine sounding times). A tenth sounding was teken at many special stations between 2100 and 0000 GMT on May 20. The method of processing is discussed, estimates of the rms errors in the data are presented, and an example of contact data is given. Reasons are given for the termination of soundings below 100 mb, and soundings with abnormal characteristics are listed.

Sienkiewicz, M. E.↗

NASA NTRS1998

Intelligent Systems and Advanced User Interfaces for Design, Operation, and Maintenance of Command Management Systems

Historically Command Management Systems (CMS) have been large, expensive, spacecraft-specific software systems that were costly to build, operate, and maintain. Current and emerging hardware, software, and user interface technologies may offer an opportunity to facilitate the initial formulation and design of a spacecraft-specific CMS as well as a to develop a more generic or a set of core components for CMS systems. Current MOC (mission operations center) hardware and software include Unix workstations, the C/C++ and Java programming languages, and X and Java window interfaces representations. This configuration provides the power and flexibility to support sophisticated systems and intelligent user interfaces that exploit state-of-the-art technologies in human-machine systems engineering, decision making, artificial intelligence, and software engineering. One of the goals of this research is to explore the extent to which technologies developed in the research laboratory can be productively applied in a complex system such as spacecraft command management. Initial examination of some of the issues in CMS design and operation suggests that application of technologies such as intelligent planning, case-based reasoning, design and analysis tools from a human-machine systems engineering point of view (e.g., operator and designer models) and human-computer interaction tools, (e.g., graphics, visualization, and animation), may provide significant savings in the design, operation, and maintenance of a spacecraft-specific CMS as well as continuity for CMS design and development across spacecraft with varying needs. The savings in this case is in software reuse at all stages of the software engineering process.

Mitchell, Christine M.↗

NASA NTRS1999

STS-93: Columbia / Chandra Mission Overview (from JSC)

A press briefing held on July 7, 1999 reviews the progress of the Chandra X ray Observatory project. The tape begins with an animated view of the launch of the Chandra X ray Observatory from the shuttle, as it was planned. Next is a press briefing. Bryan Austin, the Lead Flight Director, discusses the five day mission, and the reason for the shortened length, due to the added weight from the Chandra Observatory. He also reviews the other payloads, and activities that will take place during the mission. Kenneth Ledbetter, Science Director Mission Development, discusses the 4 great observatories and the role of each. They are the Hubble, which observed visible light; Compton Gamma Ray Observatory, the Chandra, and the Space Infrared Telescope Facility. A time line of the expected operational lifetime of each of the 4 great observatories is shown. Specific information about the Chandra Telescope is reviewed. The last press briefing presenter is Fred Wojtalik, who is the Chandra Program Manager. He reviews the Chandra's components, and acknowledges a few of the many companies that contributed to its building. He also reviews the orbital activation and checkout sequences. Question that follows, center around contingency plans if some part of the planned sequence is not successful. The costs are reviewed, and concerns about the Initial Upper Stage, the propulsion unit required to take the Chandra to its high orbit are addressed. The Chandra is planned to take an eliptical orbit, which is higher than the other space telescopes, thus far launched due to the requirement to avoid Earth generated X rays.

Source record↗

NASA NTRS1994

Decision Making in Action: Applying Research to Practice

The importance of decision-making to safety in complex, dynamic environments like mission control centers and offshore installations has been well established. NASA-ARC has a program of research dedicated to fostering safe and effective decision-making in the manned spaceflight environment. Because access to spaceflight is limited, environments with similar characteristics, including aviation and nuclear power plants, serve as analogs from which space-relevant data can be gathered and theories developed. Analyses of aviation accidents cite crew judgement and decision making as causes or contributing factors in over half of all accidents. A similar observation has been made in nuclear power plants. Yet laboratory research on decision making has not proven especially helpful in improving the quality of decisions in these kinds of environments. One reason is that the traditional, analytic decision models are inappropriate to multidimensional, high-risk environments, and do not accurately describe what expert human decision makers do when they make decisions that have consequences. A new model of dynamic, naturalistic decision making is offered that may prove useful for improving decision making in complex, isolated, confined and high-risk environments. Based on analyses of crew performance in full-mission simulators and accident reports, features that define effective decision strategies in abnormal or emergency situations have been identified. These include accurate situation assessment (including time and risk assessment), appreciation of the complexity of the problem, sensitivity to constraints on the decision, timeliness of the response, and use of adequate information. More effective crews also manage their workload to provide themselves with time and resources to make good decisions. In brief, good decisions are appropriate to the demands of the situation. Effective crew decision making and overall performance are mediated by crew communication. Communication contributes to performance because it assures that all crew members have essential information, but it also regulates and coordinates crew actions and is the medium of collective thinking in response to a problem. This presentation will examine the relations between leadership, communication, decision making and overall crew performance. Implications of these findings for spaceflight and training for offshore installations will be discussed.

Orasanu, Judith↗

NASA NTRS1994

Decision Making in Action

Orasanu, Judith↗

NASA NTRS2008

Optimal Planning and Problem-Solving

CTAEMS MDP Optimal Planner is a problem-solving software designed to command a single spacecraft/rover, or a team of spacecraft/rovers, to perform the best action possible at all times according to an abstract model of the spacecraft/rover and its environment. It also may be useful in solving logistical problems encountered in commercial applications such as shipping and manufacturing. The planner reasons around uncertainty according to specified probabilities of outcomes using a plan hierarchy to avoid exploring certain kinds of suboptimal actions. Also, planned actions are calculated as the state-action space is expanded, rather than afterward, to reduce by an order of magnitude the processing time and memory used. The software solves planning problems with actions that can execute concurrently, that have uncertain duration and quality, and that have functional dependencies on others that affect quality. These problems are modeled in a hierarchical planning language called C_TAEMS, a derivative of the TAEMS language for specifying domains for the DARPA Coordinators program. In realistic environments, actions often have uncertain outcomes and can have complex relationships with other tasks. The planner approaches problems by considering all possible actions that may be taken from any state reachable from a given, initial state, and from within the constraints of a given task hierarchy that specifies what tasks may be performed by which team member.

Clemet, Bradley↗

NASA NTRS2011

Forming Mandrels for X-Ray Mirror Substrates

Future x-ray astronomical missions, like the International X-ray Observatory (IXO), will likely require replicated mirrors to reduce both mass and production costs. Accurately figured and measured mandrels - upon which the mirror substrates are thermally formed - are essential to enable these missions. The challenge of making these mandrels within reasonable costs and schedule has led the Goddard and Marshall Space Flight Centers to develop in-house processes and to encourage small businesses to attack parts of the problem. Both Goddard and Marshall have developed full-aperture polishing processes and metrologies that yield high-precision axial traces of the finished mandrels. Outside technologists have been addressing challenges presented by subaperture CNC machining processes: particularly difficult is the challenge of reducing mid-spatial frequency errors below 2 nm rms. The end-product of this approach is a realistic plan for the economically feasible production of mandrels that meet program requirements in both figure and quantity.

Blake, Peter N.↗

DOE OSTI2015

Ultrasonic Transducer Irradiation Test Results

Ultrasonic technologies offer the potential for high-accuracy and -resolution in-pile measurement of a range of parameters, including geometry changes, temperature, crack initiation and growth, gas pressure and composition, and microstructural changes. Many Department of Energy-Office of Nuclear Energy (DOE-NE) programs are exploring the use of ultrasonic technologies to provide enhanced sensors for in-pile instrumentation during irradiation testing. For example, the ability of small diameter ultrasonic thermometers (UTs) to provide a temperature profile in candidate metallic and oxide fuel would provide much needed data for validating new fuel performance models. Other ongoing efforts include an ultrasonic technique to detect morphology changes (such as crack initiation and growth) and acoustic techniques to evaluate fission gas composition and pressure. These efforts are limited by the lack of identified ultrasonic transducer materials capable of long term performance under irradiation test conditions. For this reason, the Pennsylvania State University (PSU) was awarded an ATR NSUF project to evaluate the performance of promising magnetostrictive and piezoelectric transducers in the Massachusetts Institute of Technology Research Reactor (MITR) up to a fast fluence of at least 10 21 n/cm 2 . The goal of this research is to characterize and demonstrate magnetostrictive and piezoelectric transducer operation during irradiation, enabling the development of novel radiation-tolerant ultrasonic sensors for use in Material Testing Reactors (MTRs). As such, this test is an instrumented lead test and real-time transducer performance data is collected along with temperature and neutron and gamma flux data. The current work bridges the gap between proven out-of-pile ultrasonic techniques and in-pile deployment of ultrasonic sensors by acquiring the data necessary to demonstrate the performance of ultrasonic transducers. To date, one piezoelectric transducer and two magnetostrictive transducers have demonstrated reliable operation under irradiation. The irradiation is ongoing.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Role of Polymer Architecture in CO 2 Capture from Air Using Supported Poly(alkylenimine)s: Linear vs Branched Polymers

Direct air capture (DAC) of CO 2 coupled with geologic storage is a promising climate change mitigation strategy, with some applications employing amines supported on porous solids as CO 2 sorbents. While branched poly(ethylenimine) (PEI) is the standard benchmark amine material, it suffers from limited oxidative stability. Poly(propylenimine) (PPI), as an alternative, has previously demonstrated improved resistance to degradation under harsh oxidative conditions. Linear and branched PEI are commercially available, though at different molecular weights, while PPI is not commercially available. For this reason, a comparative study of all four polymers (linear PEI, branched PEI, linear PPI, branched PPI) has not been reported for DAC. In this study, we synthesize and compare low-molecular-weight (∼800 g/mol) linear (L) and branched (B) PEI and PPI supported on a model support, SBA-15 silica. These materials are evaluated for CO 2 adsorption under dry, DAC-relevant conditions (400 ppm of CO 2 , 30 °C). LPPI exhibited the highest amine efficiency at all loadings, reaching a maximum of 0.14 mmol CO 2 /mmol N, outperforming BPEI, while LPEI consistently showed the lowest uptake capacity. Temperature-programmed desorption reveals that the structure of the amine polymer impacts the CO 2 binding strength, with branched polymers displaying higher desorption energies of 102−111 kJ/mol. In situ infrared spectroscopy experiments show that all sorbents preferentially capture CO 2 as ammonium carbamate. Isobaric CO 2 uptake studies further underscore the influence of polymer mobility and support pore crowding on performance, while demonstrating the sorbents’ performance at elevated temperatures and CO 2 concentrations. All materials demonstrated good stability over 25 adsorption−desorption cycles using thermal regeneration in an inert gas purge, with only BPPI displaying a 10−11% decrease in capacity/amine efficiency during cycling, possibly due to the loss of low molecular weight, oligomeric amines. This is the first side-by-side comparison of the CO 2 sorption properties of linear and branched PEI and PPI with similar molecular weights. These findings highlight the significant role of polymer architecture in CO 2 capture efficiency and inform future designs of durable, high-performance DAC sorbents.

adsorbents↗

DOE OSTI2014

SU-E-P-04: Transport Theory Learning Module in the Maple Environment

Purpose: The medical physics graduate program at the University of Miami is developing a computerized instructional module which provides an interactive mechanism for students to learn transport theory. While not essential in the medical physics curriculum, transport theory should be taught because the conceptual level of transport theory is fundamental, a substantial literature exists and ought to be accessible, and students should understand commercial software which solves the Boltzmann equation.But conventional teaching and learning of transport theory is challenging. Students may be under prepared to appreciate its methods, results, and relevance, and it is not substantially addressed in textbooks for the medical physicists. Other resources an instructor might reasonably use, while excellent, may be too briskly paced for beginning students. The purpose of this work is to render teaching of transport theory more tractable by making learning highly interactive. Methods: The module is being developed in the Maple mathematics environment by instructors and graduate students. It will refresh the students' knowledge of vector calculus and differential equations, and will develop users' intuition for phase space concepts. Scattering concepts will be developed with animated simulations using tunable parameters characterizing interactions, so that students may develop a “feel” for cross section. Transport equations for one and multiple types of radiation will be illustrated with phase space animations. Numerical methods of solution will be illustrated. Results: Attempts to teach rudiments of transport theory in radiation physics and dosimetry courses using conventional classroom techniques at the University of Miami have had small success, because classroom time is limited and the material has been hard for our students to appreciate intuitively. Conclusion: A joint effort of instructor and students to teach and learn transport theory by building an interactive description of it will lead to deeper appreciation of the transport theoretical underpinnings of dosimetry.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2012

MOGO: Model-Oriented Global Optimization of Petascale Applications

The MOGO project was initiated under in 2008 under the DOE Program Announcement for Software Development Tools for Improved Ease-of-Use on Petascale systems (LAB 08-19). The MOGO team consisted of Oak Ridge National Lab, Argonne National Lab, and the University of Oregon. The overall goal of MOGO was to attack petascale performance analysis by developing a general framework where empirical performance data could be efficiently and accurately compared with performance expectations at various levels of abstraction. This information could then be used to automatically identify and remediate performance problems. MOGO was be based on performance models derived from application knowledge, performance experiments, and symbolic analysis. MOGO was able to make reasonable impact on existing DOE applications and systems. New tools and techniques were developed, which, in turn, were used on important DOE applications on DOE LCF systems to show significant performance improvements.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1997

A Disturbance Rejection Approach to Actuator and Sensor Placement

For various reasons as discussed for instance in, the selection of actuator and sensor positions is still ad hoc. This is especially true for flexible structures where many candidate configurations can exist. This study is an attempt to make the selection process more methodical. One approach to actuator and sensor placement is to optimize a closed loop performance metric directly by selecting the actuators, sensors, and controller gains simultaneously. This direct approach makes sense if the desired closed loop performance is well defined. Since the individual actuator and sensor contributions to the closed loop performance metric is complex, the solution strategy usually employs non linear programming with many design and numerical iterations. A second approach is to select actuators and/or sensors based on open loop properties so that closed loop performance is indirectly optimized. Since the individual sensor and actuator contributions to the open loop metric is simple, nonlinear optimization is usually not needed. This approach will suggest efficient actuator and sensor configurations for any type of control law. The method suggested in this study falls into the latter class of approaches.

Lim, K. B.↗

NASA NTRS2004

Glenn Heat Transfer Simulation and Solver Graphical User Interface: Development and Testing

In the Tui ine Branch of the Turbomachinery and Propulsion Systems Division, researching and developing efficient turbine aerothermodynamics technologies is the main objective. Creating effective turbines for jet engines is a process which, if based purely on physical experimental testing, would be extremely expensive. It is for this reason, and also for the reasons of speed and ease, that the Turbine Branch spends a large amount of effort working with simulations of turbines. Specifically, they focus their work on two main fields: Computational Field Dynamics (CFD), and Experimental data analysis. The experimental field involves comparing experimental results to simulated results, whereas the CFD field involves running these simulations. The simulations are applied to aerodynamics and heat transfer cases, for both steady and unsteady flow conditions. By and large this work is applied to the domain of flow and heat transfer in axial turbines. The main application used to run these heat flow simulations is GlennHT. This program, recently rewritten in FORTRAN 90, allows the user to input a job file which specifies all the necessary parameters needed to simulate flow through a user-defined grid. There are several other executables used as well, ranging in application from converting grid files to and from particular formats, to merging blocks in a connectivity file, to converting connectivity files to a GlennHT compatible format. All of these executables are run from the command line in a terminal; some of them have interactive prompts where the user must specify the files to be manipulated after the program starts, while others take all of their parameters from the command line. With this amount of variation comes a good deal of commands and formats to memorize, which can cause slower and less efficient work, as users may forget how to execute a certain program, or not remember the pathnames of the files they wish to use. Two years ago, steps were made to expedite this process with a graphical user interface (GUI) that combines the functionality of all the executables along with adding some new functionality, such as residuals graphing and boundary conditions creation. Upon my beginning here at Glenn, many parts of the GUI, which was developed in Java, were nonfunctional. There were also issues with cross-platforming, as systems in the branch were transitioning from Silicon Graphics (SGI) machines to Linux machines. My goals this summer are to finish the parts of the GUI that are not yet completed, fix parts that did not work correctly, expand the functionality to include other useful features, such as grid surface highlighting, and make the system compatible with both Linux and SGI. I will also be heavily testing the system and providing sufficient documentation on how to use the GUI, as no such documentation existed previously.

Kardamis, Joseph R.↗

DOE OSTI2014

MO-F-16A-03: AAPM Online Learning Support of New ABR MOC Requirements

In 2002 the American Board of Radiology (ABR) discontinued issuing lifetime board certification. After that time diplomates received a timelimited certificate and must participate in the Maintenance of Certification (MOC) program in order to maintain their certification. Initially certificates were issued with a 10 year expiration period and the MOC had requirements to be met over that 10 year period. The goal was to demonstrate continuous maintenance of clinical competency, however some diplomates were attempting to fulfill most or all of the requirements near the end of the 10 year period. This failed to meet the continuous aspect of the goal and so the ABR changed to a sliding 3-year window. This was done to recognize that not every year would be the same, but that diplomates should be able to maintain a reasonable average over any 3 year period.A second significant change occurred in 2013. The initial requirements included 20 selfassessment modules (SAMs) over the original 10 year term. SAMs are a special type of continuing education (CE) credit that were an addition to the 250 standard CE credits required over the 10 year period. In 2013, however, the new requirement is 75 CE credits over the previous 3 years, of which 25 must include self-assessment. Effectively this raised the self-assessment requirement from 20 in 10 years to 25 in 3 years. Previously SAMs were an interactive presentation available in limited quantities at live meetings. However, the new requirement is not for SAMs but CE-SA which includes SAMs, but also includes the online quizzes provided at the AAPM online learning center. All credits earned at the AAPM online learning center fulfill the ABR SA requirement.This talk will be an interactive demonstration of the AAPM online learning center along with a discussion of the MOC requirements.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2013

Summary of Plutonium-238 Production Alternatives Analysis (Final Report)

The Team implemented a two-phase evaluation process. During the first phase, a wide variety of past and new candidate facilities and processing methods were assessed against the criteria established by DOE for this assessment. Any system or system element selected for consideration as an alternative within the project to reestablish domestic production of Pu-238 must meet the following minimum criteria: Any required source material must be readily available in the United States, without requiring the development of reprocessing technologies or investments in systems to separate material from identified sources. It must be cost, schedule, and risk competitive with existing baseline technology. Any identified facilities required to support the concept must be available to the program for the entire project life cycle (notionally 35 years, unless the concept is so novel as to require a shorter duration). It must present a solution that can generate at least 1.5 Kg of Pu-238 oxide per year, for at least 35 years. It must present a low-risk, near-term solution to the National Aeronautics and Space Administration’s urgent mission need. DOE has implemented this requirement by eliminating from project consideration any alternative with key technologies at less than Technology Readiness Level 5. The Team evaluated the options meeting these criteria using a more detailed assessment of the reasonable facility variations and compared them to the preferred option, which consists of target irradiation at the Advanced Test Reactor (ATR) and the High Flux Isotope Reactor (HFIR), target fabrication and chemical separations processing at the ORNL Radiochemical Engineering Development Center, and neptunium 237 storage at the Materials and Fuels Complex at INL. This preferred option is consistent with the Records of Decision from the earlier National Environmental Policy Act (NEPA) documentation

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗