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At least 433 records · Page 24

Comparing computational times for simulations when using PBPK model template and stand-alone implementations of PBPK models

Introduction We previously developed a PBPK model template that consists of a single model “superstructure” with equations and logic found in many physiologically based pharmacokinetic (PBPK) models. Using the template, one can implement PBPK models with different combinations of structures and features. Methods To identify factors that influence computational time required for PBPK model simulations, we conducted timing experiments using various implementations of PBPK models for dichloromethane and chloroform, including template and stand-alone implementations, and simulating four different exposure scenarios. For each experiment, we measured the required computational time and evaluated the impacts of including various model features (e.g., number of output variables calculated) and incorporating various design choices (e.g., different methods for estimating blood concentrations). Results We observed that model implementations that treat body weight and dependent quantities as constant (fixed) parameters can result in a 30% time savings compared with options that treat body weight and dependent quantities as time-varying. We also observed that decreasing the number of state variables by 36% in our PBPK model template led to a decrease of 20–35% in computational time. Other factors, such as the number of output variables, the method for implementing conditional statements, and the method for estimating blood concentrations, did not have large impacts on simulation time. In general, simulations with PBPK model template implementations of models required more time than simulations with stand-alone implementations, but the flexibility and (human) time savings in preparing and reviewing a model implemented using the PBPK model template may justify the increases in computational time requirements. Conclusion Our findings concerning how PBPK model design and implementation decisions impact computational speed can benefit anyone seeking to develop, improve, or apply a PBPK model, with or without the PBPK model template.

Bernstein, Amanda S.↗

Axial focusing of impact energy in the Earth's interior: Proof-of-principle tests of a new hypothesis

A causal link between major impact events and global processes would probably require a significant change in the thermal state of the Earth's interior, presumably brought about by coupling of impact energy. One possible mechanism for such energy coupling from the surface to the deep interior would be through focusing due to axial symmetry. Antipodal focusing of surface and body waves from earthquakes is a well-known phenomenon which has previously been exploited by seismologists in studies of the Earth's deep interior. Antipodal focusing from impacts on the Moon, Mercury, and icy satellites has also been invoked by planetary scientists to explain unusual surface features opposite some of the large impact structures on these bodies. For example, 'disrupted' terrains have been observed antipodal to the Caloris impact basis on Mercury and Imbrium Basin on the Moon. Very recently there have been speculations that antipodal focusing of impact energy within the mantle may lead to flood basalt and hotspot activity, but there has not yet been an attempt at a rigorous model. A new hypothesis was proposed and preliminary proof-of-principle tests for the coupling of energy from major impacts to the mantle by axial focusing of seismic waves was performed. Because of the axial symmetry of the explosive source, the phases and amplitudes are dependent only on ray parameter (or takeoff angle) and are independent of azimuthal angle. For a symmetric and homogeneous Earth, all the seismic energy radiated by the impact at a given takeoff angle will be refocused (minus attenuation) on the axis of symmetry, regardless of the number of reflections and refractions it has experienced. Mantle material near the axis of symmetry will experience more strain cycles with much greater amplitude than elsewhere and will therefore experience more irreversible heating. The situation is very different than for a giant earthquake, which in addition to having less energy, has an asymmetric focal mechanism and a larger area. Two independent proof-of-principle approaches were used. The first makes use of seismic simulations, which are being performed with a realistic Earth model to determine the degree of focusing along the axis and to estimate the volume of material, if any, that experiences significant irreversible heating. The second involves two-dimensional hydrodynamic code simulations to determine the stress history, internal energy, and temperature rise as a function of radius along the axis.

Boslough, M. B.↗

NASA Downscaling Project: Final Report

A team of researchers from NASA Ames Research Center, Goddard Space Flight Center, the Jet Propulsion Laboratory, and Marshall Space Flight Center, along with university partners at UCLA, conducted an investigation to explore whether downscaling coarse resolution global climate model (GCM) predictions might provide valid insights into the regional impacts sought by decision makers. Since the computational cost of running global models at high spatial resolution for any useful climate scale period is prohibitive, the hope for downscaling is that a coarse resolution GCM provides sufficiently accurate synoptic scale information for a regional climate model (RCM) to accurately develop fine scale features that represent the regional impacts of a changing climate. As a proxy for a prognostic climate forecast model, and so that ground truth in the form of satellite and in-situ observations could be used for evaluation, the MERRA and MERRA - 2 reanalyses were used to drive the NU - WRF regional climate model and a GEOS - 5 replay. This was performed at various resolutions that were at factors of 2 to 10 higher than the reanalysis forcing. A number of experiments were conducted that varied resolution, model parameterizations, and intermediate scale nudging, for simulations over the continental US during the period from 2000 - 2010. The results of these experiments were compared to observational datasets to evaluate the output.

dynamical downsizing↗

NASA Downscaling Project

A team of researchers from NASA Ames Research Center, Goddard Space Flight Center, the Jet Propulsion Laboratory, and Marshall Space Flight Center, along with university partners at UCLA, conducted an investigation to explore whether downscaling coarse resolution global climate model (GCM) predictions might provide valid insights into the regional impacts sought by decision makers. Since the computational cost of running global models at high spatial resolution for any useful climate scale period is prohibitive, the hope for downscaling is that a coarse resolution GCM provides sufficiently accurate synoptic scale information for a regional climate model (RCM) to accurately develop fine scale features that represent the regional impacts of a changing climate. As a proxy for a prognostic climate forecast model, and so that ground truth in the form of satellite and in-situ observations could be used for evaluation, the MERRA and MERRA-2 reanalyses were used to drive the NU-WRF regional climate model and a GEOS-5 replay. This was performed at various resolutions that were at factors of 2 to 10 higher than the reanalysis forcing. A number of experiments were conducted that varied resolution, model parameterizations, and intermediate scale nudging, for simulations over the continental US during the period from 2000-2010. The results of these experiments were compared to observational datasets to evaluate the output.

Ferraro, Robert↗

Fluid outflows from Venus impact craters - Analysis from Magellan data

Many impact craters on Venus have unusual outflow features originating in or under the continuous ejecta blankets and continuing downhill into the surrounding terrain. These features clearly resulted from flow of low-viscosity fluids, but the identity of those fluids is not clear. In particular, it should not be assumed a priori that the fluid is an impact melt. A number of candidate processes by which impact events might generate the observed features are considered, and predictions are made concerning the rheological character of flows produce by each mechanism. A sample of outflows was analyzed using Magellan images and a model of unconstrained Bingham plastic flow on inclined planes, leading to estimates of viscosity and yield strength for the flow materials. It is argued that at least two different mechanisms have produced outflows on Venus: an erosive, channel-forming process and a depositional process. The erosive fluid is probably an impact melt, but the depositional fluid may consist of fluidized solid debris, vaporized material, and/or melt.

Asimow, Paul D.↗

Depth/diameter relationships of fresh craters within Hesperia Planum, Mars

Meteorite impact craters represent important geological features for revealing the near-surface layers of a planetary surface. In the case of Mars, this characteristic was proposed as a useful method to study spatial variations of such attributes as the distribution of sub-surface volatiles, and heat flow. Using the Planetary Image Cartography System (PICS) software, a quantitative analysis was completed of the geometry of fresh impact craters in the Hesperia Planum region of Mars, where an uniform target material and optimum viewing geometry make possible an analysis of target effects over a large geographic region. Because of the morphologic similarity to the lunar maria, it is likely that Hesperia Planum comprises a series of flood lavas that partially infilled topographic depressions within the Martian highlands. Measurements of partially buried crater rims suggest that the lava flows within Hesperia Planum are between 200-400 m thick.

Mouginis-Mark, P. J.↗

A theory of post-stall transients in multistage axial compression systems

A theory is presented for post stall transients in multistage axial compressors. The theory leads to a set of coupled first-order ordinary differential equations capable of describing the growth and possible decay of a rotating-stall cell during a compressor mass-flow transient. These changing flow features are shown to have a significant effect on the instantaneous compressor pumping characteristic during unsteady operation, and henace on the overall system behavior. It is also found from the theory that the ultimate mode of system response, stable rotating stall or surge, depends not only on the B parameter but also on other parameters, such as the compressor length-to-diameter ratio. Small values of this latter quantity tend to favor the occurrence of surge, as do large values of B. A limited parametric study is carried out to show the impact of the different system features on transient behavior. Based on analytical and numerical results, several specific topics are suggested for future research on post-stall transients.

Moore, F. K.↗

Impact Modeling and Testing of Pouch and Prismatic Cells

Understanding battery response under impact is critical to improve the safety of electrified vehicles. Nevertheless, predicting the impact behaviors of batteries is not straightforward since a battery cell usually contains hundreds of thin layers with dramatically different material properties and multiple physical processes occur simultaneously during cell deformation. Here we utilized both empirical tests and numerical models to capture the failure process of pouch and prismatic cells in various impact scenarios. In each test, a cell was hit once by an indenter dropped from a certain height. During which the cell penetration, loading force, voltage and temperature were monitored to characterize the cell’s response. Meanwhile, numerical models were developed to capture the coupled mechanical, electrical, electrochemical and thermal responses of batteries. In these models, the cell bulk was treated as a homogeneous part to achieve computational efficiency required by large-scale simulations, and it was represented by the geologic cap model that allows both shear and compaction deformation. Simulation results showed agreement with experimental data in essential features of cell behaviors during impact. Details of the test setup, model development and cell failure behaviors are presented in this paper. Additionally, capabilities, limitations and future improvement of the battery safety modeling are discussed.

25 ENERGY STORAGE↗

MEUMAPPS (C++ Version)

Many materials, metal alloys in particular, have features on the on micrometer or nanometer scale that have a large impact on the properties of the material. These features are known as the microstructure of the material. Understanding why and how the microstructure forms in a material is of fundamental scientific interest as well as of significant technological interest. The capability to predict microstructure evolution in a material allows the intentional design of microstructures and hence the intentional design of material properties. The phase-field method is one of the leading methods for predicting microstructure evolution. One of the most significant problems for phase-field models is their computational expense. Even limited phase-field simulations can easily require thousands of CPU core-hours to complete, which significantly limits their use. This code provides both a general framework for creating scalable, GPU-accelerated phase-field model applications as well as several applications themselves. The code is capable of using hundreds of GPUs efficiently, which greatly reduces the time required to perform simulations. The code is written with an emphasis on performance portability, that is the ability for the code to run efficiently on a number of different computing architectures without modification of the source code. The performance portability of this code is primarily enabled through the use of two libraries, Kokkos (performance portable data structures and execution patterns) and heFFTe (performance portable distributed 3D fast Fourier transforms). The code consists of a core library, applications, and tests. The core library includes shared functionality between applications. This includes interfaces with fast Fourier transform (FFT) libraries such as heFFTe, data structures based on Kokkos, file input and output capabilities, and a solver for infinitesimal strain mechanical equilibrium problems. Five applications are included in the code. The flagship application is the MEUMAPPS-SS application, which implements the Kim-Kim-Suzuki phase-field model for precipitation for an arbitrary number of phases and components in a metal alloy. Five simpler applications are also included that solve the Eshelby inclusion problem, Allen-Cahn equation, the coupled Allen-Cahn and diffusion equations, and the Cahn-Hilliard equation. The code includes two applications to solve the Cahn-Hilliard equation, one with constant-step-size first-order time integration and the second with adaptive high-order time integration.

DeWitt, Stephen [Oak Ridge National Lab. (ORNL), O↗

A Photographic Atlas of Rock Breakdown Features in Geomorphic Environments

A primary goal of geomorphological enquiry is to make genetic associations between process and form. In rock breakdown studies, the links between process, inheritance and lithology are not well constrained. In particular, there is a need to establish an understanding of feature persistence. That is, to determine the extent to which in situ rock breakdown (e.g., aeolian abrasion or salt weathering) masks signatures of earlier geomorphic transport processes (e.g., fluvial transport or crater ejecta). Equally important is the extent to which breakdown during geomorphic transport masks the imprint of past weathering. The use of rock features in this way raises the important question: Can features on the surface of a rock reliably indicate its geomorphic history? This has not been determined for rock surfaces on Earth or other planets. A first step towards constraining the links between process, inheritance, and morphology is to identify pristine features produced by different process regimes. The purpose of this atlas is to provide a comprehensive image collection of breakdown features commonly observed on boulders in different geomorphic environments. The atlas is intended as a tool for planetary geoscientists and their students to assist in identifying features found on rocks on planetary surfaces. In compiling this atlas, we have attempted to include features that have formed 'recently' and where the potential for modification by another geomorphic process is low. However, we acknowledge that this is, in fact, difficult to achieve when selecting rocks in their natural environment. We group breakdown features according to their formative environment and process. In selecting images for inclusion in the atlas we were mindful to cover a wide range of climatic zones. For example, in the weathering chapter, clast features are shown from locations such as the hyper-arid polar desert of Antarctica and the semi-arid canyons of central Australia. This is important as some features (e.g., alveoli) occur across climate regimes. We have drawn on the published geomorphological literature and our own field experience. We use, where possible, images of extrusive igneous rocks as the data returned from Mars, Venus and the Moon indicates that this is the predominant rock type. One of the purposes of this atlas is to expand the range of surface features that are known to indicate a particular geomorphic environment or process history. The surface features on boulders in some environments such as aeolian and weathering are well understood. In contrast, those in fluvial or ejecta environments are not. Therefore we have presented a comprehensive assemblage of features that are likely to be produced in each of the geomorphic environments. We hope that this atlas will trigger more research on diagnostic features, particularly their morphometry and detailed morphology, their persistence and rates of formation. In this first edition of the atlas we detail the features found on clasts in three geomorphic environments: aeolian, fluvial and weathering. Future editions of the atlas will include chapters on ejecta, micro-impacts, coastal, colluvial, glacial and structural features.

Bourke, Mary C.↗

Overview of NASA FINESSE (Field Investigations to Enable Solar System Science and Exploration) Science and Exploration Results

NASA's FINESSE (Field Investigations to Enable Solar System Science and Exploration) project is focused on a science and exploration field-based research program to generate strategic knowledge in preparation for human and robotic exploration of other planetary bodies including our moon, Mars' moons Phobos and Deimos, and near-Earth asteroids. Scientific study focuses on planetary volcanism (e.g., the formation of volcanoes, evolution of magma chambers and the formation of multiple lava flow types, as well as the evolution and entrapment of volatile chemicals) and impact cratering (impact rock modification, cratering mechanics, and the chronologic record). FINESSE conducts multiple terrestrial field campaigns (Craters of the Moon National Monument and Preserve in Idaho for volcanics, and West Clearwater Impact Structure in Canada for impact studies) to study such features as analogs relevant to our moon, Phobos, Deimos, and asteroids. Here we present the science and exploration results from two deployments to Idaho (2014, 2015) and our first deployment to Canada (2014). FINESSE was selected as a research team by NASA's Solar System Exploration Research Virtual Institute (SSERVI). SSERVI is a joint effort by NASA's Science Mission Directorate (SMD) and Human Exploration and Operations Mission Directorate (HEOMD).

FINESSE↗

Bioresearch Module Design Definition and Space Shuttle Vehicle Integration Study. Volume 1: Basic Report

Preliminary designs of the Bioexplorer spacecraft, developed in an earlier study program, are analyzed and updated to conform to a new specification which includes use of both the Scout and the space shuttle vehicle for launch. The updated spacecraft is referred to as bioresearch module. It is capable of supporting a variety of small biological experiments in near-earth and highly elliptical earth orbits. The baseline spacecraft design is compatible with the Scout launch vehicle. Inboard profile drawings, weight statements, interface drawings, and spacecraft parts and aerospace ground equipment lists are provided to document the design. The baseline design was analyzed to determine the design and cost impact of a set of optional features. These include reduced experiment power and thermal load, addition of an experiment television monitor, and replacement of VHF with S-band communications. The impact of these options on power required, weight change and cost is defined.

Lang, A. L., Jr.↗

Formation of the central uplift in meteoric craters

Data are presented on the sizes of impact craters with central uplifts on the earth, moon, and terrestrial planets. It is proposed that the central uplift of the Kara crater in the USSR was formed by impact metamorphism of rocks along a crater having a depth of about 600 meters. A theoretical analysis of the mechanics of hypervelocity impact cratering is used to investigate the features of shock-wave attenuation in the depths of the target and the amount of impact melt formed during this process. An attempt is made to determine the velocity of rock motion during the formation of central uplifts in terrestrial craters.

Ivanov, B. A.↗

Topography of Small Volcanoes at the Margin of the Mars North Polar Cap

Putative volcanic craterforms have been observed in the north polar region of Mars since Mariner 9. Hodges and Moore described some of these features for the region they called the 'Borealis Volcanic Field', and suggested that several were formed as a consequence of magma-ice or magmawater interactions. Mars Orbiter Laser Altimeter (MOLA) topographic measurements confirm suggest that the features are unlikely to be of impact origin, and that there are many more of them present around the north polar cap than suspected from images alone. Analysis of one of the larger features--suggested by Hodges and Moore to represent a hydromagmatic explosion crater or maar--showed topographic characteristics more similar to a terrestrial small basaltic shield volcano, possibly of recent origins. Recent work with the MOLA topography has also suggested that the possible volcanic extent of the Borealis Field is substantially larger in both number and range than previously mapped. Since the majority of these features are within 100 km of the present edge of the northern residual polar cap, and several extend into the Chasma Boreale cap re-entrant, they are some of the best Mars candidates for possible magma-water or magma-ice interactions. However, so far, these features have not displayed the expected average slope or other characteristics predicted for martian hydrovolcanic features, or even martian explosive volcanic features. Here, we show some of the range of feature types observed in the topography, along with their characteristic topographic measurements, and compare them to terrestrial and martian volcanic features. Additional information is contained in the original extended abstract.

Sakimoto, S. E. H.↗

Exploring the Longwave Radiative Effects of Dust Aerosols

Dust aerosols not only affect air quality and visibility where they pose a significant health and safety risk, but they can also play a role in modulating the energy balance of the Earth-atmosphere system by directly interacting with local radiative fields. Consequently, dust aerosols can impact regional climate patterns such as changes in precipitation and the evolution of the hydrological cycle. Assessing the direct effect of dust aerosols at the solar wavelengths is fairly straightforward due in part to the relatively large signal-to-noise ratio in broadband irradiance measurements. The longwave (LW) impacts, on the other hand, are rather difficult to ascertain since the measured dust signal level (10 Wm-2) is on the same order as the instrumental uncertainties. Moreover, compared to the shortwave (SW), limited experimental data on the LW optical properties of dust makes it a difficult challenge for constraining the LW impacts. Owing to the strong absorption features found in many terrestrial minerals (e.g., silicates and clays), the LW effects, although much smaller in magnitude compared to the SW, can still have a sizeable impact on the energetics of the Earth-atmosphere system, which can potentially trigger changes in the heat and moisture surface budgets, and dynamics of the atmosphere. The current endeavor is an integral part of an on-going research study to perform detailed assessments of dust direct aerosol radiative effects (DARE) using comprehensive global datasets from NASA Goddards mobile ground-based facility (cf. http://smartlabs.gsfc.nasa.gov/) during previous field experiments near key dust source regions. Here we examine and compare the results from two of these studies: the 2006 NASA African Monsoon Multidisciplinary Activities and the 2008 Asian Monsoon Years. The former study focused on transported Saharan dust at Sal Island (16.73N, 22.93W), Cape Verde along the west coast of Africa while the latter focused on Asian dust at Zhangye China (39.082N, 100.276E), a semi-arid region between the Taklimakan and Gobi deserts. NASA Goddards Giovanni system is used to help map out the spatial distribution of retrieved aerosol optical depths across the latter desert regions. 1-D radiative transfer model constrained by local measurements, including spectral photometry/interferometry and lidar for characterizing the spatiotemporal variability in dust properties and atmospheric conditions, is employed to evaluate the local instantaneous LW DARE of dust both at the surface and at the top of the atmosphere along with heating rate profiles for cloud-free atmospheres. The efficiency in LW DARE and its significance relative to the diurnally averaged SW effects are explored and compared in both studies. Found to be non-negligible, LW DARE is an important component in the study of regional climate variation with important implications for more detailed global assessments.

Hansell, Richard A., Jr.↗

A Comparative Analysis of Two Full-Scale MD-500 Helicopter Crash Tests

Two full scale crash tests were conducted on a small MD-500 helicopter at NASA Langley Research Center fs Landing and Impact Research Facility. One of the objectives of this test series was to compare airframe impact response and occupant injury data between a test which outfitted the airframe with an external composite passive energy absorbing honeycomb and a test which had no energy absorbing features. In both tests, the nominal impact velocity conditions were 7.92 m/sec (26 ft/sec) vertical and 12.2 m/sec (40 ft/sec) horizontal, and the test article weighed approximately 1315 kg (2900 lbs). Airframe instrumentation included accelerometers and strain gages. Four Anthropomorphic Test Devices were also onboard; three of which were standard Hybrid II and III, while the fourth was a specialized torso. The test which contained the energy absorbing honeycomb showed vertical impact acceleration loads of approximately 15 g, low risk for occupant injury probability, and minimal airframe damage. These results were contrasted with the test conducted without the energy absorbing honeycomb. The test results showed airframe accelerations of approximately 40 g in the vertical direction, high risk for injury probability in the occupants, and substantial airframe damage.

Littell, Justin D.↗

Advancing Pore–Space–Partitioned Metal–Organic Frameworks with Isoreticular Cluster Concept

Trigonal planar M 3 (O/OH) trimers are among the most important clusters in inorganic chemistry and are the foundational features of multiple high-impact MOF platforms. Here we introduce a concept called isoreticular cluster series and demonstrate that M 3 (O/OH), as the first member of a supertrimer series, can be combined with a higher hierarchical member (double-deck trimer here) to advance isoreticular chemistry. We report here an isoreticular series of pore-space-partitioned MOFs called M 3 M 6 pacs made from co-assembly between M 3 single-deck trimer and M 3x2 double-deck trimer. Important factors were identified on this multi-modular MOF platform to guide optimization of each module, which enables the phase selection of M 3 M 6 pacs by overcoming the formation of previously-always-observed same-cluster phases. The new pacs materials exhibit high surface area and high uptake capacity for CO 2 and small hydrocarbons, as well as selective adsorption properties relevant to separation of industrially important mixtures such as C 2 H 2 /CO 2 and C 2 H 2 /C 2 H 4 . Furthermore, new M 3 M 6 pacs materials show electrocatalytic properties with high activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bis(Nitroxymethylisoxazolyl) Furoxan: A Promising Standalone Melt-Castable Explosive

The synthesis and crystal structure of the heterocyclic explosive bis(nitroxymethylisoxazolyl) furoxan, C 10 H 6 N 6 O 10 , are described. In addition, we report its physical properties and theoretical performance. This material was found to exhibit standalone melt-castable explosive properties, with a melting point of 89.8 °C and an onset decomposition temperature of 193.8 °C. Bis(nitroxymethylisoxazolyl) furoxan features an insensitive behavior to impact, friction, and electrostatic discharge, with a calculated detonation pressure about 25 % higher than the state-of-the-art melt-castable explosive TNT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗