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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 739 records · Page 41

Quantitative Analysis of Color Differences within High Contrast, Low Power Reversible Electrophoretic Displays

Here, quantitative color analysis is performed on videos of high contrast, low power reversible electrophoretic deposition (EPD)-based displays operated under different applied voltages. This analysis is coded in an open-source software, relies on a color differentiation metric, ΔE * 00 , derived from digital video, and provides an intuitive relationship between the operating conditions of the devices and their performance. Time-dependent ΔE * 00 color analysis reveals color relaxation behavior, recoverability for different voltage sequences, and operating conditions that can lead to optimal performance.

36 MATERIALS SCIENCE↗

Xavier: High-Performance X-Drop Adaptive Banded Pairwise Alignment (Xavier) v1.0

Pairwise sequence alignment is one of the most compute-intense challenges for the analysis of genomics data and it can account for more than 90% of the runtime depending on the application. Despite the effort to reduce the computational cost introducing heuristics such as banded and x-drop alignment, the performance of state-of-the-art software is often unsatisfactory for long sequences. Recent advances in single-molecule sequencing technologies keep increasing the length of the sequences to align at the cost of higher error rates b ranging from 5% to 15% b, emphasizing the need for fast and accurate software. Our long-read alignment software, named Xavier, computes high-performance x-drop adaptive banded pairwise alignment exploiting instruction-level parallelism via Single-Instruction-Multiple-Data (SIMD) operations. Xavier uses a narrow bandwidth that appreciably improves performance reducing the search space for the optimal alignment. In our experiment, the adaptive mechanism enables Xavier to find the optimal alignment between related sequences even when the error rate is as high as 50%. Xavier achieves speed-up up to 5X over competitor software when enabling the x-drop termination and up to 415X when disabling it, with negligible accuracy loss.

Guidi, Giulia↗

Selecting an image analysis minicomputer system

Factors to be weighed when selecting a minicomputer system as the basis for an image analysis computer facility vary depending on whether the user organization procures a new computer or selects an existing facility to serve as an image analysis host. Some conditions not directly related to hardware or software should be considered such as the flexibility of the computer center staff, their encouragement of innovation, and the availability of the host processor to a broad spectrum of potential user organizations. Particular attention must be given to: image analysis software capability; the facilities of a potential host installation; the central processing unit; the operating system and languages; main memory; disk storage; tape drives; hardcopy output; and other peripherals. The operational environment, accessibility; resource limitations; and operational supports are important. Charges made for program execution and data storage must also be examined.

Danielson, R.↗

Multiwavelength pyrometry for nongray bodies

A multiwavelength technique was developed and applied to measure the temperatures of nongray surfaces. The instruments required are a spectral radiometer, a dedicated auxiliary radiation source, and a computer. In general, three radiation spectra are recorded: (1) spectrum S sub 0 of the auxiliary radiation source; (2) spectrum S sub 1 of the surface-emitted radiation; and (3) spectrum S sub 2, the sum of the radiation of S sub 1 plus the reflected radiation due to the incidence of the auxiliary radiation source on the surface. Subtracting spectrum S sub 1 from spectrum Sub 2 yields the reflection spectrum resulting from the incidence radiation. From these spectra, a quantity z(lambda) is derived and is related to the reflectivity r(lambda) by r(lambda) = z(lambda)/f, where f is a constant. Spectrum S sub 1 is represented mathematically as the product of a wavelength-dependent emissivity obtained from Kirchhoff's law and a Planck function of temperature T. Application of two-variable (lambda and z), nonlinear, least-squares curve-fitting computer software to fit spectrum S sub 1 to this mathematical expression yielded the surface temperature. This technique also measured the spectral reflectivity and emissivity of the surface. Instrumentation necessary to extend measurement to elevated temperatures and in the presence of reflective interference is discussed.

Ng, Daniel↗

Earth-Based Ring Occultation to the PDS Rings Node

The major task of this work has been to collect, document, and translate a wide variety of occultation data sets to a common format. This work has been completed. Table I lists the 1977-1987 Uranus occultation data sets that have been retrieved and which are ready for conversion to the PDS occultation standard format, once it has been standardized. The primary documentation and original data tapes for these occultations are part of the MIT data archive, and will be submitted to the PDS from MIT. I have been in contact with Jim Elliot and Steve McDonald, who are carrying out this work, and they have informed me that some of the original data tapes have bad blocks in them. As called upon, I will continue to provide the MIT group with whatever information they require in order that the most complete versions of the data sets be provided to the PDS. 2. All data sets from MIT NOVA disk platters were transcribed to Exabyte tapes, and software was written to enable the NOVA binary data formats to be converted to IEEE standard format. The number of these files which will be contributed to the PDS will depend on the success of the MIT group in reading the original data tapes for the events recorded on these disk platters. As needed, I will supply the MIT group with translated versions of these salvaged files for submission to the PDS. 3. The imaging observations from McDonald and Lick Observatories have been calibrated in both radius and optical depth, and are available in simple binary format. 4. Final submission of the Uranus ring data sets to the PDS is awaiting final agreement by the Rings Node Advisory Council on the PDS FITS format to be adopted for occultation data set.

French, Richard G.↗

Tele-Supervised Adaptive Ocean Sensor Fleet

The Tele-supervised Adaptive Ocean Sensor Fleet (TAOSF) is a multi-robot science exploration architecture and system that uses a group of robotic boats (the Ocean-Atmosphere Sensor Integration System, or OASIS) to enable in-situ study of ocean surface and subsurface characteristics and the dynamics of such ocean phenomena as coastal pollutants, oil spills, hurricanes, or harmful algal blooms (HABs). The OASIS boats are extended- deployment, autonomous ocean surface vehicles. The TAOSF architecture provides an integrated approach to multi-vehicle coordination and sliding human-vehicle autonomy. One feature of TAOSF is the adaptive re-planning of the activities of the OASIS vessels based on sensor input ( smart sensing) and sensorial coordination among multiple assets. The architecture also incorporates Web-based communications that permit control of the assets over long distances and the sharing of data with remote experts. Autonomous hazard and assistance detection allows the automatic identification of hazards that require human intervention to ensure the safety and integrity of the robotic vehicles, or of science data that require human interpretation and response. Also, the architecture is designed for science analysis of acquired data in order to perform an initial onboard assessment of the presence of specific science signatures of immediate interest. TAOSF integrates and extends five subsystems developed by the participating institutions: Emergent Space Tech - nol ogies, Wallops Flight Facility, NASA s Goddard Space Flight Center (GSFC), Carnegie Mellon University, and Jet Propulsion Laboratory (JPL). The OASIS Autonomous Surface Vehicle (ASV) system, which includes the vessels as well as the land-based control and communications infrastructure developed for them, controls the hardware of each platform (sensors, actuators, etc.), and also provides a low-level waypoint navigation capability. The Multi-Platform Simulation Environment from GSFC is a surrogate for the OASIS ASV system and allows for independent development and testing of higher-level software components. The Platform Communicator acts as a proxy for both actual and simulated platforms. It translates platform-independent messages from the higher control systems to the device-dependent communication protocols. This enables the higher-level control systems to interact identically with heterogeneous actual or simulated platforms.

Lefes, Alberto↗

Development Context Driven Change Awareness and Analysis Framework

Recent work on workspace monitoring allows conflict prediction early in the development process, however, these approaches mostly use syntactic differencing techniques to compare different program versions. In contrast, traditional change-impact analysis techniques analyze related versions of the program only after the code has been checked into the master repository. We propose a novel approach, De- CAF (Development Context Analysis Framework), that leverages the development context to scope a change impact analysis technique. The goal is to characterize the impact of each developer on other developers in the team. There are various client applications such as task prioritization, early conflict detection, and providing advice on testing that can benefit from such a characterization. The DeCAF framework leverages information from the development context to bound the iDiSE change impact analysis technique to analyze only the parts of the code base that are of interest. Bounding the analysis can enable DeCAF to efficiently compute the impact of changes using a combination of program dependence and symbolic execution based approaches.

Change Awareness↗

2018 FEARCE Development: A Robust and Accurate Engine Modeling Software

Research and development of Fast, Easy, Accurate and Robust Continuum Engineering (FEARCE, formerly KIVA-hpFE) for turbulent reactive and multiphase flow, particularly as related to engine modeling, is relevant to the DOE Vehicle Technologies Office efforts at addressing national energy security. Less dependence on petroleum products leads to greater energy security. By Environmental Protection Agency standards, some vehicles are now reaching 42–50 mpg mark. These are conventional gasoline engines. With continued investment and research into new technical innovations, the potential exists to save more than 4 million barrels of oil per day or approximately 200 to 400 dollars million per day. This would be a significant decrease in emissions and use of petroleum and a very large stimulus to the U.S. economy.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Updates to the Regional Seismic Travel Time (RSTT) Model: 1. Tomography

Abstract A function of global monitoring of nuclear explosions is the development of Earth models for predicting seismic travel times for more accurate calculation of event locations. Most monitoring agencies rely on fast, distance-dependent one-dimensional (1D) Earth models to calculate seismic event locations quickly and in near real-time. RSTT (Regional Seismic Travel Time) is a seismic velocity model and computer software package that captures the major effects of three-dimensional crust and upper mantle structure on regional seismic travel times, while still allowing for fast prediction speed (milliseconds). We describe updates to the RSTT model using a refined data set of regional phases (i.e., Pn, Pg, Sn, Lg) using the Bayesloc relative relocation algorithm. The tomographic inversion shown here acts to refine the previous RSTT public model ( rstt201404um ) and displays significant features related to areas of global tectonic complexity as well as further reduction in arrival residual values. Validation of the updated RSTT model demonstrates significant reduction in median epicenter mislocation (15.3 km) using all regional phases compared to the iasp91 1D model (22.1 km) as well as to the current station correction approach used at the Comprehensive Nuclear-Test-Ban Treaty Organization International Data Centre (18.9 km).

58 GEOSCIENCES↗

Ground and excited state gradients with end-to-end differentiable semiempirical quantum chemistry

Accurate and efficient gradients of molecular energy with respect to nuclear degrees of freedom are essential for geometry optimization and molecular dynamics, including simulations that go beyond the Born–Oppenheimer regime. A common approach involves deriving analytical formulas for new electronic structure methods, which is often conceptually difficult and requires tedious coding. Here, we implement analytical, semi-numerical, and automatic differentiation (AD)-based gradient pathways for semiempirical Hamiltonian models in the PYSEQM software package, leveraging both graphics processing unit (GPU) and central processing unit (CPU) architectures. We further extend these capabilities to excited states calculated using the configuration interaction singles and time-dependent Hartree–Fock ansätze. We benchmark wall time, peak memory usage, and accuracy across three molecular families of varying chemical complexity, including systems of up to a thousand atoms. For ground-state simulations, analytical and AD gradients achieve near-identical GPU runtimes, while semi-numerical gradients are slower on GPU but remain competitive on CPU. For excited states, both analytical and custom AD approaches using implicit differentiation show similar performance and low memory requirements, whereas gradients with full AD are memory-limited. AD gradients match analytical ones in accuracy across all tested systems, aided by a quaternion-based diatomic frame rotation for two-center quantities that ensures smooth energy surfaces. Overall, automatic differentiation emerges as a practical alternative to analytical gradients in semiempirical quantum chemistry, offering high accuracy while allowing seamless integration in AI-driven workflows and popular packages, such as PyTorch and JAX. Our results provide actionable guidance for selecting optimal gradient strategies in large-scale ground- and excited-state molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

TH-D-BRB-04: Pinnacle Scripting: Improving Efficiency While Maintaining Safety

Scripting capabilities and application programming interfaces (APIs) are becoming commonly available in modern treatment planning systems. These links to the treatment planning system (TPS) allow users to read data from the TPS, and in some cases use TPS functionality and write data back to the TPS. Such tools are powerful extensions, allowing automation of routine clinical tasks and supporting research, particularly research involving repetitive tasks on large patient populations. The data and functionality exposed by scripting/API capabilities is vendor dependent, as are the languages used by script/API engines, such as the Microsoft .NET framework or Python. Scripts deployed in a clinical environment must be commissioned and validated like any other software tool. This session will provide an overview of scripting applications and a discussion of best practices, followed by a practical introduction to the scripting capabilities of three commercial treatment planning systems. Learning Objectives: Understand the scripting capabilities available in several treatment planning systems Learn how to get started using scripting capabilities Understand the best practices for safe script deployment in a clinical environment R. Popple, Varian Medical Systems has provided research support unrelated to the topic of this session.R. Cardan, Varian Medical Systems for grant research, product evaluation, and teaching honorarium.

60 APPLIED LIFE SCIENCES↗

A Data Driven Pre-cooling Framework for Energy Cost Optimization in Commercial Buildings

Commercial buildings consume significant amount of energy. Facility managers are increasingly grappling with the problem of reducing their buildings’ peak power, overall energy consumption and energy bills. In this paper, we first develop an optimization framework – based on a gray box model for zone thermal dynamics – to determine a pre-cooling strategy that simultaneously shifts the peak power to low energy tariff regimes, and reduces both the peak power and overall energy consumption by exploiting the flexibility in a building’s thermal comfort range. We then evaluate the efficacy of the pre-cooling optimization framework by applying it to building management system data, spanning several days, obtained from a large commercial building located in a tropical region of the world. The results from simulations show that optimal pre-cooling reduces peak power by over 50%, energy consumption by up to 30% and energy bills by up to 37%. Next, to enable ease of use of our framework, we also propose a shortest path based heuristic algorithmfor solving the optimization problemand show that it has comparable erformance with the optimal solution. Finally, we describe an application of the proposed optimization framework for developing countries to reduce the dependency on expensive fossil fuels, which are often used as a source for energy backup.We conclude by highlighting our real world deployment of the optimal pre-cooling framework via a software service on the cloud platform of a major provider. Our pre-cooling methodology, based on the gray box optimization framework, incurs no capital expense and relies on data readily available from a building management system, thus enabling facility managers to take informed decisions for improving the energy and cost footprints of their buildings

Vishwanath, Arun↗

Uncertainty Quantification of Monolithic Tungsten Target Block Fatigue

The current STS spallation target design consists of 21 water cooled, tantalum clad, monolithic tungsten blocks. The target wheel assembly rotates such that each target block receives a direct proton pulse every 1.4 seconds (21 blocks / 15 Hz pulses). The quasi-steady heating induced by the repetitive beam pulses creates a significant mean stress distribution in the target. On top of this, the rapid energy deposition from a proton pulse induces dynamic stress waves that are of the same order of magnitude as the mean stresses. Over the design goal of 5,000 operational hours per year for a decade, each target must withstand over 130 million repetitions of these dynamic stress events. The fatigue life prediction of the target blocks is a complex sequence of simulations that depend upon a set of input parameters. For the tungsten block, the end goal is the fatigue factor-of-safety (FOS). This study documents a new structural analysis routine using software available to U.S. national laboratories (e.g. CUBIT, Sierra Multiphysics, Dakota) that enables more rapid target fatigue analysis. The increased throughput is amenable to parameter sensitivity and uncertainty quantification (UQ) studies. A set of input parameters (ultimate strength, fatigue strength, density, elastic modulus, Poisson’s ratio, thermal conductivity, coefficient of thermal expansion, specific heat, flow rate) with expected ranges are documented based on literature data, recent experimental testing, and engineering judgement. UQ bounds the resulting fatigue FOS at [0.5, 3.4] using epistemic interval analysis. These bounds are expected to be wider due to model effects (discretization) and beam effects (focus, offset) that were not included. Parameter sensitivity underscores the importance of ultimate strength and fatigue strength of irradiated tungsten on the fatigue calculations.

43 PARTICLE ACCELERATORS↗

Introduction to the Space Physics Analysis Network (SPAN)

The Space Physics Analysis Network or SPAN is emerging as a viable method for solving an immediate communication problem for the space scientist. SPAN provides low-rate communication capability with co-investigators and colleagues, and access to space science data bases and computational facilities. The SPAN utilizes up-to-date hardware and software for computer-to-computer communications allowing binary file transfer and remote log-on capability to over 25 nationwide space science computer systems. SPAN is not discipline or mission dependent with participation from scientists in such fields as magnetospheric, ionospheric, planetary, and solar physics. Basic information on the network and its use are provided. It is anticipated that SPAN will grow rapidly over the next few years, not only from the standpoint of more network nodes, but as scientists become more proficient in the use of telescience, more capability will be needed to satisfy the demands.

Green, J. L.↗

The linear Boltzmann equation in slab geometry - Development and verification of a reliable and efficient solution

The linear Boltzmann equation can be cast in a form mathematically identical to the radiation-transport equation. A multigroup procedure is used to reduce the energy (or velocity) dependence of the transport equation to a series of one-speed problems. Each of these one-speed problems is equivalent to the monochromatic radiative-transfer problem, and existing software is used to solve this problem in slab geometry. The numerical code conserves particles in elastic collisions. Generic examples are provided to illustrate the applicability of this approach. Although this formalism can, in principle, be applied to a variety of test particle or linearized gas dynamics problems, it is particularly well-suited to study the thermalization of suprathermal particles interacting with a background medium when the thermal motion of the background cannot be ignored. Extensions of the formalism to include external forces and spherical geometry are also feasible.

Stamnes, K.↗

UQTools: The Uncertainty Quantification Toolbox - Introduction and Tutorial

UQTools is the short name for the Uncertainty Quantification Toolbox, a software package designed to efficiently quantify the impact of parametric uncertainty on engineering systems. UQTools is a MATLAB-based software package and was designed to be discipline independent, employing very generic representations of the system models and uncertainty. Specifically, UQTools accepts linear and nonlinear system models and permits arbitrary functional dependencies between the system s measures of interest and the probabilistic or non-probabilistic parametric uncertainty. One of the most significant features incorporated into UQTools is the theoretical development centered on homothetic deformations and their application to set bounding and approximating failure probabilities. Beyond the set bounding technique, UQTools provides a wide range of probabilistic and uncertainty-based tools to solve key problems in science and engineering.

Kenny, Sean P.↗

The Integrated Hazard Analysis Integrator

Hazard analysis addresses hazards that arise in the design, development, manufacturing, construction, facilities, transportation, operations and disposal activities associated with hardware, software, maintenance, operations and environments. An integrated hazard is an event or condition that is caused by or controlled by multiple systems, elements, or subsystems. Integrated hazard analysis (IHA) is especially daunting and ambitious for large, complex systems such as NASA s Constellation program which incorporates program, systems and element components that impact others (International Space Station, public, International Partners, etc.). An appropriate IHA should identify all hazards, causes, controls and verifications used to mitigate the risk of catastrophic loss of crew, vehicle and/or mission. Unfortunately, in the current age of increased technology dependence, there is the tendency to sometimes overlook the necessary and sufficient qualifications of the integrator, that is, the person/team that identifies the parts, analyzes the architectural structure, aligns the analysis with the program plan and then communicates/coordinates with large and small components, each contributing necessary hardware, software and/or information to prevent catastrophic loss. As viewed from both Challenger and Columbia accidents, lack of appropriate communication, management errors and lack of resources dedicated to safety were cited as major contributors to these fatalities. From the accident reports, it would appear that the organizational impact of managers, integrators and safety personnel contributes more significantly to mission success and mission failure than purely technological components. If this is so, then organizations who sincerely desire mission success must put as much effort in selecting managers and integrators as they do when designing the hardware, writing the software code and analyzing competitive proposals. This paper will discuss the necessary and sufficient requirements of one of the significant contributors to mission success, the IHA integrator. Discussions will be provided to describe both the mindset required as well as deleterious assumptions/behaviors to avoid when integrating within a large scale system.

Morris, A. Terry↗

Studies of Cosmic Ray Modulation and Energetic Particle Propagation in Time-Dependent 3-Dimensional Heliospheric Magnetic Fields

The primary goal of this project was to perform theoretical calculations of propagation of cosmic rays and energetic particles in 3-dimensional heliospheric magnetic fields. We used Markov stochastic process simulation to achieve to this goal. We developed computation software that can be used to study particle propagation in, as two examples of heliospheric magnetic fields that have to be treated in 3 dimensions, a heliospheric magnetic field suggested by Fisk (1996) and a global heliosphere including the region beyond the termination shock. The results from our model calculations were compared with particle measurements from Ulysses, Earth-based spacecraft such as IMP-8, WIND and ACE, Voyagers and Pioneers in outer heliosphere for tests of the magnetic field models. We particularly looked for features of particle variations that can allow us to significantly distinguish the Fisk magnetic field from the conventional Parker spiral field. The computer code will eventually lead to a new generation of integrated software for solving complicated problems of particle acceleration, propagation and modulation in realistic 3-dimensional heliosphere of realistic magnetic fields and the solar wind with a single computation approach.

Zhang, Ming↗