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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 811 records · Page 45

P SI4 1.4: Open-source software for high-throughput quantum chemistry

PSI4 is a free and open-source ab initio electronic structure program providing implementations of Hartree–Fock, density functional theory, many-body perturbation theory, configuration interaction, density cumulant theory, symmetry-adapted perturbation theory, and coupled-cluster theory. Most of the methods are quite efficient, thanks to density fitting and multi-core parallelism. The program is a hybrid of C++ and Python, and calculations may be run with very simple text files or using the Python API, facilitating post-processing and complex workflows; method developers also have access to most of PSI4 's core functionalities via Python. Job specification may be passed using The Molecular Sciences Software Institute (MolSSI) QCSCHEMA data format, facilitating interoperability. We announce a rewrite of our top-level computation driver, and concomitant adoption of the MolSSI QCARCHIVE INFRASTRUCTURE project, makes the latest version of PSI4 well suited to distributed computation of large numbers of independent tasks. The project has fostered the development of independent software components that may be reused in other quantum chemistry programs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of moisture barrier coatings on carbon-phenolic SRM nozzle materials

The carbon-phenolic composite ablative material used on the Solid Rocket Motor (SRM) nozzle is known to absorb moisture from the atmosphere. This could cause problems such as pocketing during firing. Several moisture barrier coatings were tested on the SRM nozzle material. Data are presented for six of the 12 coatings to be tested. The data were obtained from immersion of coated samples in an environmental chamber at 100 F and 100% relative humidity and by using a modified TGA (thermal gravimetric analysis) technique. The TGA technique involved allowing wet nitrogen (25 C, 80% relative humidity) to flow across a small sample at about 65 cu cm per minute while continually monitoring the weight increase. These preliminary results show Kel-F-800, a material supplied by 3M Corporation to be the better moisture barrier. A second task was to collect data on the relative absorption of water and kerosene into the carbon-phenolic SRM nozzle material. These data indicate that water absorbs into the nozzle material to a much greater extent than kerosene. Thus kerosene is the more likely solvent in which to make specific gravity measurements on the SRM nozzle material.

Mcnutt, Ronald C.↗

Risk Reduction and Measures of Injury for EVA Associated Upper Extremity Medical Issues: Extended Vent Tube Study

During Neutral Buoyancy Lab (NBL) training sessions, a large amount of moisture accumulates in the EVA gloves. The glove design restricts the extension of the EVA suit s ventilation/cooling system to the hand. Subungual redness and fingernail pain develops for many astronauts following their NBL training sessions with subsequent oncholysis occurring over succeeding weeks. Various attempts have been made to reduce or avoid this problem. The causal role of moisture has yet to be defined. Methods: To determine the contribution that moisture plays in the injury to the fingers and fingernails during EVA training operations in NBL, the current Extravehicular Mobility Unit (EMU), with a Portable Life Support System (PLSS) was configured with a ventilation tube that extended down a single arm of the crewmember during the test and compared with the unventilated contralateral arm; with the ventilated hand serving as the experimental condition (E) and the opposite arm as the control (C). A cross-over design was used with opposite handedness for the vent tube on a subsequent NBL training run. Moisture content measures were conducted at six points on each hand with three types of moisture meters. A questionnaire was administered to determine subjective thermal hand discomfort, skin moisture perception, and hand and nail discomfort. Photographs and video were recorded. Measures were applied to six astronauts pre- and post-run in the NBL. Results: The consistent trends in relative hydration ratios at the dorsum, from 3.34 for C to 2.11 for E, and first ring finger joint locations, from 2.46 for C to 1.96 for E, indicated the extended vent tube promoted skin drying. The experimental treatment appeared to be more effective on the left hand versus the right hand, implying an interaction with hand anthropometry and glove fit. Video analyses differentiated fine and gross motor training tasks during runs and will be discussed. Conclusions: This potential countermeasure was effective in reducing the risks of hand and nail discomfort symptoms from moderate to low in two of six subjects. Improved design in the ventilation pattern of such a countermeasure is expected to improve the countermeasure s efficiency.

Jones, Jeffrey A.↗

Parallel Distributed Hydrology Soil Vegetation Model (DHSVM) using global arrays

The Distributed Hydrology Soil Vegetation Model (DHSVM) code was parallelized for distributed memory computers using Global Arrays (GA). To analyze parallel performance, DHSVM was used to simulate two significantly sized river basins located in northwest continental United States and southwest Canada at 90~m resolution: (1) Clearwater (25,000~km2) and (2) Columbia (668,000~km2). Meteorological forcing applied to both basins was dynamically down-scaled from a global circulation model using the Weather Research and Forecasting (WRF) model and read into DHSVM as 2D maps each time step. We report parallel code speed up was significant. Run times for 1-year simulations were reduced by an order of magnitude for both test basins. A maximum speed up of 105 was attained with 480 processors while simulating the Columbia basin. Speed up was limited by input dominated tasks, particularly the input of meteorological forcing data.

54 ENVIRONMENTAL SCIENCES↗

Inspection of Used Fuel Dry Storage Casks

The U.S. Nuclear Regulatory Commission (NRC) regulates the storage of used nuclear fuel, which is now and will be increasingly placed in dry storage systems. Since a final disposition pathway is not defined, the fuel is expected to be maintained in dry storage well beyond the time frame originally intended. Due to knowledge gaps regarding the viability of current dry storage systems for long term use, efforts are underway to acquire the technical knowledge and tools required to understand the issues and verify the integrity of the dry storage system components. This report summarizes the initial efforts performed by researchers at Idaho National Laboratory and Argonne National Laboratory to identify and evaluate approaches to in-situ inspection dry storage casks. This task is complicated by the design of the current storage systems that severely restrict access to the casks.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A Complete Machine-Learning-Based Workflow to Illuminate Earthquake Processes

Under this grant we developed, tested, and made available, machine learning models to improve the tasks in the earthquake monitoring workflow (Figure 1). We implemented these models as a part of an end-to-end workflow for seismic network processing and demonstrated, in a variety of settings, that these methods generalize and that they result in dramatically more comprehensive earthquake catalogs. These catalogs illuminate earthquake processes in detail and to an extent that had previously not been possible, and they do so for both tectonic seismicity and seismicity induced by fluid injection related to unconventional hydrocarbon development. This report summarizes the results from the 15 publications that resulted from this grant. Those contributes are divided into: (1) the development of specific tasks related to monitoring (7 publications), (2) the organization of those tasks into workflows for seismic monitoring (2 publications), and (3) applications of those workflows to data (6 publications).

58 GEOSCIENCES↗

Selecting Minimal Motion Primitive Libraries with Genetic Algorithms

Motion primitives allow for application of discrete search algorithms to rapidly produce trajectories in complex continuous space. The maneuver automaton (MA) provides an elegant formulation for creating a primitive library based on trims and maneuvers. However, performance is fundamentally limited by the contents of the primitive library. If the library is too sparse, performance can be poor in terms of path cost, whereas a library that is too large can increase run time. This work outlines new methods for using genetic algorithms to prune a primitive library. The proposed methods balance the path cost and planning time while maintaining the reachability of the MA. The genetic algorithm in this paper evaluates and mutates populations of motion primitive libraries to optimize both objectives. Here, we illustrate the performance of these methods with a simulated study using a nonlinear medium-fidelity F-16 model. We optimize a library with the presented algorithm for obstacle-free navigation and a nap-of-the-Earth navigation task. In the obstacle-free navigation task, we show a tradeoff of a 10.16% higher planning cost for a 96.63% improvement in run time. In the nap-of-the-Earth task, we show a tradeoff of a 9.712% higher planning cost for a 92.06% improvement in run time.

42 ENGINEERING↗

Detectability of auditory signals presented without defined observation intervals

Ability to detect tones in noise was measured without defined observation intervals. Latency density functions were estimated for the first response following a signal and, separately, for the first response following randomly distributed instances of background noise. Detection performance was measured by the maximum separation between the cumulative latency density functions for signal-plus-noise and for noise alone. Values of the index of detectability, estimated by this procedure, were approximately those obtained with a 2-dB weaker signal and defined observation intervals. Simulation of defined- and non-defined-interval tasks with an energy detector showed that this device performs very similarly to the human listener in both cases.

Watson, C. S.↗

Early flight test experience with Cockpit Displayed Traffic Information (CDTI)

Coded symbology, based on the results of early human factors studies, was displayed on the electronic horizontal situation indicator and flight tested on an advanced research aircraft in order to subject the coded traffic symbology to a realistic flight environment and to assess its value by means of a direct comparison with simple, uncoded traffic symbology. The tests consisted of 28 curved, decelerating approaches, flown by research-pilot flight crews. The traffic scenarios involved both conflict-free and blunder situations. Subjective pilot commentary was obtained through the use of a questionnaire and extensive pilot debriefing sessions. The results of these debriefing sessions group conveniently under either of two categories: display factors or task performance. A major item under the display factor category was the problem of display clutter. The primary contributors to clutter were the use of large map-scale factors, the use of traffic data blocks, and the presentation of more than a few aircraft. In terms of task performance, the cockpit displayed traffic information was found to provide excellent overall situation awareness.

Abbott, T. S.↗

Assessing the Subjective Workload of Directional Orientation Tasks

The impact of various flight-related tasks on the workload imposed by the requirement to compute new headings, course changes, and reciprocal headings was investigated. Eight pilots were presented with a series of heading-change tasks in a laboratory setting. Two levels of difficulty of each of three tasks were presented verbally and spatially. Performance was measured by evaluating the speed and accuracy of the responses. The subjective responses and objective measures of performance reflected a strong association between subjective experience and objective behavior. The reciprocal calculations were performed quickly and accurately throughout and were considered to be minimally loading. Subjective workload, percent correct and response times for the two course-change tasks varied significantly as a function of level of difficulty and display format, with no discernable speed/accuracy trade off.

Miller, R. C.↗

Task-level robot programming: Integral part of evolution from teleoperation to autonomy

An explanation is presented of task-level robot programming and of how it differs from the usual interpretation of task planning for robotics. Most importantly, it is argued that the physical and mathematical basis of task-level robot programming provides inherently greater reliability than efforts to apply better known concepts from artificial intelligence (AI) to autonomous robotics. Finally, an architecture is presented that allows the integration of task-level robot programming within an evolutionary, redundant, and multi-modal framework that spans teleoperation to autonomy.

Reynolds, James C.↗

Scheduling Tasks In Parallel Processing

Algorithms sought to minimize time and cost of computation. Report describes research on scheduling of computations tasks in system of multiple identical data processors operating in parallel. Computational intractability requires use of suboptimal heuristic algorithms. First algorithm called "list heuristic", variation of classical list scheduling. Second algorithm called "cluster heuristic" applied to tightly coupled tasks and consists of four phases. Third algorithm called "exchange heuristic", iterative-improvement algorithm beginning with initial feasible assignment of tasks to processors and periods of time. Fourth algorithm is iterative one for optimal assignment of tasks and based on concept called "simulated annealing" because of mathematical resemblance to aspects of physical annealing processes.

Price, Camille C.↗

Design issues in 2-port network models of bilateral remote manipulation

A two-port impedance-network model of a single-degree-of-freedom remote manipulation system in which a human operator at the master port interacts with a task object at the slave port in a remote location is presented. The design of the network involves the selection of feedback gains for the servomechanisms that transmit motion and force information from one port of the two-port to the other in both directions. The proposed methodology allows this selection to be based on both stability requirements and specifications of desired port impedances, given models of the task and the human operator. The resulting design guidelines guarantee stability for any passive task object at the slave port and any passive human impedance at the master port.

Raju, G. Jagannath↗

Research and development for Onboard Navigation (ONAV) ground based expert/trainer system: Final user's guide

The purpose is to present procedures for preparation, operation, monitoring, and recovery of the Shuttle Onboard Navigation (ONAV) Entry phase expert system. This user's guide is primarily intended for functional users of the system. It includes procedures for system operation in support of training activities as well as operational tasks. In addition, information is provided which enables maintenance personnel to handle updates, modifications, etc. to the system.

Bochsler, Daniel C.↗

Research and development for Onboard Navigation (ONAV) ground based expert/trainer system: Preliminary user's guide

The purpose is to present procedures for preparation, operation, monitoring, and recovery of the Shuttle Entry phase expert system that is part of the Onboard Navigation (ONAV) Ground Based Expert System Trainer System for aircraft/space shuttle navigation. This user's guide is primarily intended for functional users of the system. It includes procedures for system operation in support of training activities as well as operational tasks. In addition, information is provided which enables maintenance personnel to handle updates, modifications, etc. to the system.

Bochsler, Daniel C.↗

Thermosolutal convection and macrosegregation in dendritic alloys

A mathematical model of solidification, that simulates the formation of channel segregates or freckles, is presented. The model simulates the entire solidification process, starting with the initial melt to the solidified cast, and the resulting segregation is predicted. Emphasis is given to the initial transient, when the dendritic zone begins to develop and the conditions for the possible nucleation of channels are established. The mechanisms that lead to the creation and eventual growth or termination of channels are explained in detail and illustrated by several numerical examples. A finite element model is used for the simulations. It uses a single system of equations to deal with the all-liquid region, the dendritic region, and the all-solid region. The dendritic region is treated as an anisotropic porous medium. The algorithm uses the bilinear isoparametric element, with a penalty function approximation and a Petrov-Galerkin formulation. The major task was to develop the solidification model. In addition, other tasks that were performed in conjunction with the modeling of dendritic solidification are briefly described.

Poirier, David R.↗