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At least 1,405 records · Page 78

Alignment and Performance of the Infrared Multi-Object Spectrometer

The Infrared Multi-Object Spectrometer (IRMOS) is a principle investigator class instrument for the Kitt Peak National Observatory 4 and 2.1 meter telescopes. IRMOS is a near-IR (0.8 - 2.5 micron) spectrometer with low-to mid-resolving power (R = 300 - 3000). IRMOS produces simultaneous spectra of approximately 100 objects in its 2.8 x 2.0 arc-min field of view (4 m telescope) using a commercial Micro Electro-Mechanical Systems (MEMS) micro-mirror array (MMA) from Texas Instruments. The IRMOS optical design consists of two imaging subsystems. The focal reducer images the focal plane of the telescope onto the MMA field stop, and the spectrograph images the MMA onto the detector. We describe ambient breadboard subsystem alignment and imaging performance of each stage independently, and ambient imaging performance of the fully assembled instrument. Interferometric measurements of subsystem wavefront error serve as a qualitative alignment guide, and are accomplished using a commercial, modified Twyman-Green laser unequal path interferometer. Image testing provides verification of the optomechanical alignment method and a measurement of near-angle scattered light due to mirror small-scale surface error. Image testing is performed at multiple field points. A mercury-argon pencil lamp provides a spectral line at 546.1 nanometers, a blackbody source provides a line at 1550 nanometers, and a CCD camera and IR camera are used as detectors. We use commercial optical modeling software to predict the point-spread function and its effect on instrument slit transmission and resolution. Our breadboard and instrument level test results validate this prediction. We conclude with an instrument performance prediction for cryogenic operation and first light in late 2003.

Connelly, Joseph A.↗

Draper Station Analysis Tool

Draper Station Analysis Tool (DSAT) is a computer program, built on commercially available software, for simulating and analyzing complex dynamic systems. Heretofore used in designing and verifying guidance, navigation, and control systems of the International Space Station, DSAT has a modular architecture that lends itself to modification for application to spacecraft or terrestrial systems. DSAT consists of user-interface, data-structures, simulation-generation, analysis, plotting, documentation, and help components. DSAT automates the construction of simulations and the process of analysis. DSAT provides a graphical user interface (GUI), plus a Web-enabled interface, similar to the GUI, that enables a remotely located user to gain access to the full capabilities of DSAT via the Internet and Webbrowser software. Data structures are used to define the GUI, the Web-enabled interface, simulations, and analyses. Three data structures define the type of analysis to be performed: closed-loop simulation, frequency response, and/or stability margins. DSAT can be executed on almost any workstation, desktop, or laptop computer. DSAT provides better than an order of magnitude improvement in cost, schedule, and risk assessment for simulation based design and verification of complex dynamic systems.

Bedrossian, Nazareth↗

Trustworthy Autonomy for Gateway Vehicle System Manager

The Vehicle System Manager (VSM) is the highest-level software control system in the Gateway hierarchical Autonomous System Management Architecture. The VSM provides four function categories: Mission Management and Timeline Execution, Resource Management, Fault Management, Vehicle Control and Operation. VSM provides various levels of automation ranging from fully autonomous operations with no flight crew and minimal ground monitoring to advisory automation when Gateway is crewed and has full ground monitoring. Trustworthiness is achieved via verified specification, comprehensive development verification, and real-time verification using assume-guarantee contracts. Development verification includes semantic verification of the data model via peer review and testing and assume-guarantee contracts implemented using the PlusCal/TLA+ environment. VSM also uses runtime assume-guarantee contracts, implemented in R2U2 via a runtime monitor that feeds the necessary telemetry data to R2U2 and which receives and responds to the R2U2 verdict stream. The full lifecycle verification approach and use of assume-guarantee contracts provides increased trustworthiness to VSM. Preliminary results provide encouragement that VSM can be both autonomous and trustworthy.

Assume-guarantee contracts↗

Source strength verification and quality assurance of preloaded brachytherapy needles using a CMOS flat panel detector

Purpose: Current methods of low dose rate brachytherapy source strength verification for sources preloaded into needles consist of either assaying a small number of seeds from a separate sample belonging to the same lot used to load the needles or performing batch assays of a subset of the preloaded seed trains. Both of these methods are cumbersome and have the limitations inherent to sampling. The purpose of this work was to investigate an alternative approach that uses an image-based, autoradiographic system capable of the rapid and complete assay of all sources without compromising sterility. Methods: The system consists of a flat panel image detector, an autoclavable needle holder, and software to analyze the detected signals. The needle holder was designed to maintain a fixed vertical spacing between the needles and the image detector, and to collimate the emissions from each seed. It also provides a sterile barrier between the needles and the imager. The image detector has a sufficiently large image capture area to allow several needles to be analyzed simultaneously.Several tests were performed to assess the accuracy and reproducibility of source strengths obtained using this system. Three different seed models (Oncura 6711 and 9011 {sup 125}I seeds, and IsoAid Advantage {sup 103}Pd seeds) were used in the evaluations. Seeds were loaded into trains with at least 1 cm spacing. Results: Using our system, it was possible to obtain linear calibration curves with coverage factor k = 1 prediction intervals of less than ±2% near the centre of their range for the three source models. The uncertainty budget calculated from a combination of type A and type B estimates of potential sources of error was somewhat larger, yielding (k = 1) combined uncertainties for individual seed readings of 6.2% for {sup 125}I 6711 seeds, 4.7% for {sup 125}I 9011 seeds, and 11.0% for Advantage {sup 103}Pd seeds. Conclusions: This study showed that a flat panel detector dosimetry system is a viable option for source strength verification in preloaded needles, as it is capable of measuring all of the sources intended for implantation. Such a system has the potential to directly and efficiently estimate individual source strengths, the overall mean source strength, and the positions within the seed-spacer train.

60 APPLIED LIFE SCIENCES↗

Digital tomosynthesis (DTS) for verification of target position in early stage lung cancer patients

Purpose: The ability to verify intrafraction tumor position is clinically useful for hypofractionated treatments. Short arc kV digital tomosynthesis (DTS) could facilitate more frequent target verification. The authors used DTS combined with triangulation to determine the mean temporal position of small-volume lung tumor targets treated with stereotactic radiotherapy. DTS registration results were benchmarked against online clinical localization using registration between free-breathing cone-beam computed tomography (CBCT) and the average intensity projection (AvIP) of the planning 4DCT.Methods: In this retrospective study, 76 sets of kV-projection images from online CBCT scans of 13 patients were used to generate DTS image slices (CB-DTS) with nonclinical research software (DTS Toolkit, Varian Medical Systems). Three-dimensional tumor motion was 1.3–4 mm in six patients and 6.1–25.4 mm in seven patients on 4DCT (significant difference in the mean of the groups, P < 0.01). The 4DCT AvIP was used to digitally reconstruct the Reference-DTS. DTS registration and DTS registration combined with triangulation were investigated. Progressive shortening of total DTS arc lengths from 95° to 35° around 0° gantry position was evaluated for different scenarios: DTS registration using the entire arc; DTS registration plus triangulation using two nonoverlapping arcs; and for 55° and 45° total gantry rotation, DTS registration plus triangulation using two overlapping arcs. Finally, DTS registration plus triangulation performed at eight gantry angles, each separated by 45° was evaluated using full fan kV projection data for one patient with an immobile tumor and five patients with mobile tumors.Results: For DTS registration alone, shortening arc length did not influence accuracy in X- and Y-directions, but in Z-direction, mean deviations from online CBCT localization systematically increased for shorter arc length (P < 0.05). For example, using a 95° arc mean DTS-CBCT difference was 0.8 mm (1 SD = 0.6 mm) and for a 35° arc the mean was 2.4 mm (1 SD = 1.7 mm). DTS plus triangulation using nonoverlapping-arcs increased accuracy in Z-direction for tested arc lengths ≤55° (P < 0.01). Overlapping arcs increased accuracy in Y-direction for tumors with motion >4 mm (P < 0.02) but increased Z-direction accuracy was only observed with 55° total gantry rotation. The 95th percentile deviations with this overlapping technique in X-, Y-, and Z-directions were 1.3, 2.0, and 2.5 mm, respectively. For the five patients with mobile tumors where DTS + triangulation was performed with 45° intervals, the pooled deviation from online CBCT correction showed, for X-, Y-, and Z-directions, mean of 1.1 mm, standard deviations (SD) of 0.9, 1.0, and 0.9 mm, respectively. The mean + 2 SD was <3 mm for each direction.Conclusions: Short-arc DTS verification of time averaged lung tumor position is feasible using free-breathing kV projection data and the AvIP of the 4DCT as a reference. Observed differences between DTS and online CBCT registration with AvIP were ≤3 mm (mean + 2 SD), however, the increased temporal resolution of DTS + triangulation also identified short period deviations from the average target position on the CBCT. Short-arc DTS appears promising for intrafraction tumor position monitoring during stereotactic lung radiotherapy delivered with a rotational technique.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Suitability of markerless EPID tracking for tumor position verification in gated radiotherapy

Purpose: To maximize the benefits of respiratory gated radiotherapy (RGRT) of lung tumors real-time verification of the tumor position is required. This work investigates the feasibility of markerless tracking of lung tumors during beam-on time in electronic portal imaging device (EPID) images of the MV therapeutic beam. Methods: EPID movies were acquired at ∼2 fps for seven lung cancer patients with tumor peak-to-peak motion ranges between 7.8 and 17.9 mm (mean: 13.7 mm) undergoing stereotactic body radiotherapy. The external breathing motion of the abdomen was synchronously measured. Both datasets were retrospectively analyzed inPortalTrack, an in-house developed tracking software. The authors define a three-step procedure to run the simulations: (1) gating window definition, (2) gated-beam delivery simulation, and (3) tumor tracking. First, an amplitude threshold level was set on the external signal, defining the onset of beam-on/-off signals. This information was then mapped onto a sequence of EPID images to generate stamps of beam-on/-hold periods throughout the EPID movies in PortalTrack, by obscuring the frames corresponding to beam-off times. Last, tumor motion in the superior-inferior direction was determined on portal images by the tracking algorithm during beam-on time. The residual motion inside the gating window as well as target coverage (TC) and the marginal target displacement (MTD) were used as measures to quantify tumor position variability. Results: Tumor position monitoring and estimation from beam's-eye-view images during RGRT was possible in 67% of the analyzed beams. For a reference gating window of 5 mm, deviations ranging from 2% to 86% (35% on average) were recorded between the reference and measured residual motion. TC (range: 62%–93%; mean: 77%) losses were correlated with false positives incidence rates resulting mostly from intra-/inter-beam baseline drifts, as well as sudden cycle-to-cycle fluctuations in exhale positions. Both phenomena can lead to considerable deviations (with MTD values up to a maximum of 7.8 mm) from the intended tumor position, and in turn may result in a marginal miss. The difference between tumor traces determined within the gating window against ground truth trajectory maps was 1.1 ± 0.7 mm on average (range: 0.4–2.3 mm). Conclusions: In this retrospective analysis of motion data, it is demonstrated that the system is capable of determining tumor positions in the plane perpendicular to the beam direction without the aid of fiducial markers, and may hence be suitable as an online verification tool in RGRT. It may be possible to use the tracking information to enable on-the-fly corrections to intra-/inter-beam variations by adapting the gating window by means of a robotic couch.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

SU-E-T-75: Commissioning Optically Stimulated Luminescence Dosimeters for Fast Neutron Therapy

Purpose: Fast neutrons therapy used at the University of Washington is clinically proven to be more effective than photon therapy in treating salivary gland and other cancers. A nanodot optically stimulated luminescence (OSL) system was chosen to be commissioned for patient in vivo dosimetry for neutron therapy. The OSL-based radiation detectors are not susceptible to radiation damage caused by neutrons compared to diodes or MOSFET systems. Methods: An In-Light microStar OSL system was commissioned for in vivo use by radiating Landauer nanodots with neutrons generated from 50.0 MeV protons accelerated onto a beryllium target. The OSLs were calibrated the depth of maximum dose in solid water localized to 150 cm SAD isocenter in a 10.3 cm square field. Linearity was tested over a typical clinical dose fractionation range i.e. 0 to 150 neutron-cGy. Correction factors for transient signal fading, trap depletion, gantry angle, field size, and wedge factor dependencies were also evaluated. The OSLs were photo-bleached between radiations using a tungsten-halogen lamp. Results: Landauer sensitivity factors published for each nanodot are valid for measuring photon and electron doses but do not apply for neutron irradiation. Individually calculated nanodot calibration factors exhibited a 2–5% improvement over calibration factors computed by the microStar InLight software. Transient fading effects had a significant impact on neutron dose reading accuracy compared to photon and electron in vivo dosimetry. Greater accuracy can be achieved by calibrating and reading each dosimeter within 1–2 hours after irradiation. No additional OSL correction factors were needed for field size, gantry angle, or wedge factors in solid water phantom measurements. Conclusion: OSL detectors are a useful for neutron beam in vivo dosimetry verification. Dosimetric accuracy comparable to conventional diode systems can be achieved. Accounting for transient fading effects during the neutron beam calibration is a critical component for achieving comparable accuracy.

07 ISOTOPE AND RADIATION SOURCES↗

Assessment of Condition Monitoring Methods and Technologies for Inservice Inspection and Testing of Nuclear Power Plant Components

This report was prepared for the U.S. Nuclear Regulatory Commission (NRC) to explore the application of advanced technologies toward meeting the current and future regulatory requirements for maintenance and condition monitoring of structures, systems, and components. The advanced technologies considered in this work are advanced sensors and instrumentation, data analytics, machine learning and artificial intelligence (ML/AI), physics-based models, and digital twins (DT). The interest in the application of advanced technologies for condition monitoring in nuclear power plants continues to grow, and current and future licensees are expected to implement advanced technologies as part of their inservice inspection (ISI) and inservice testing (IST) programs. This report delineates the outcomes of an exploratory investigation into the implementation of advanced condition monitoring technologies to address ISI and IST requirements. A thorough review was conducted of the existing regulatory requirements for ISI and IST, along with an analysis of associated industry practices. Additionally, a state-of-the-art assessment was performed on advanced condition monitoring technologies frequently employed in non-nuclear sectors. This research incorporated two nuclear-specific case studies to illustrate the application of these technologies within the current nuclear fleet. The report provides an exhaustive discussion on the technical challenges, considerations, and opportunities associated with the deployment of advanced condition monitoring technologies. The following are key considerations in the application of advanced technologies for the ISI and IST of nuclear power plant components: • Developing adequate verification and validation procedures to confirm the functional and non-functional requirements, • Developing technical capabilities to conduct real-time asset condition monitoring, • Establishing guidance and protocol for modeling and simulation tools to continuously meet regulatory requirements, • Addressing trustworthiness, explainability, and interpretability of ML/AI methods, • Evaluating maintenance activities to maintain an adequate safety margin and avoid undesirable conditions, • Establishing cybersecure condition monitoring programs associated with a computer-based software system, and • Establishing standardized evaluation metrics for advanced condition monitoring programs. Interest in the use of advanced technologies for condition monitoring in ISI and IST programs continues to grow, and the technology is expected to experience rapid and wide industry adoption in the near future. Adoption of advanced technologies for condition monitoring could have novel and unique impacts on regulatory activities associated with ISI and IST programs. The NRC is continuing to explore the regulatory aspects of advanced technologies as part of ISI and IST programs by pursuing additional research in this technical area.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Age and Stress Prediction

Genoa is a software product that predicts progressive aging and failure in a variety of materials. It is the result of a SBIR contract between the Glenn Research Center and Alpha Star Corporation. Genoa allows designers to determine if the materials they plan on applying to a structure are up to the task or if alternate materials should be considered. Genoa's two feature applications are its progressive failure simulations and its test verification. It allows for a reduction in inspection frequency, rapid design solutions, and manufacturing with low cost materials. It will benefit the aerospace, airline, and automotive industries, with future applications for other uses.

Source record↗

Delivery of Colloid Micro-Newton Thrusters for the Space Technology 7 Mission

Two flight-qualified clusters of four Colloid Micro-Newton Thruster (CMNT) systems have been delivered to the Jet Propulsion Laboratory (JPL). The clusters will provide precise spacecraft control for the drag-free technology demonstration mission, Space Technology 7 (ST7). The ST7 mission is sponsored by the NASA New Millennium Program and will demonstrate precision formation flying technologies for future missions such as the Laser Interferometer Space Antenna (LISA) mission. The ST7 disturbance reduction system (DRS) will be on the ESA LISA Pathfinder spacecraft using the European gravitational reference sensor (GRS) as part of the ESA LISA Technology Package (LTP). Developed by Busek Co. Inc., with support from JPL in design and testing, the CMNT has been developed over the last six years into a flight-ready and flight-qualified microthruster system, the first of its kind. Recent flight-unit qualification tests have included vibration and thermal vacuum environmental testing, as well as performance verification and acceptance tests. All tests have been completed successfully prior to delivery to JPL. Delivery of the first flight unit occurred in February of 2008 with the second unit following in May of 2008. Since arrival at JPL, the units have successfully passed through mass distribution, magnetic, and EMI/EMC measurements and tests as part of the integration and test (I&T) activities including the integrated avionics unit (IAU). Flight software sequences have been tested and validated with the full flight DRS instrument successfully to the extent possible in ground testing, including full functional and 72 hour autonomous operations tests. Delivery of the cluster assemblies along with the IAU to ESA for integration into the LISA Pathfinder spacecraft is planned for the summer of 2008 with a planned launch and flight demonstration in late 2010.

Precision Formation Flying↗

Orion Backup Flight Software

Orion Backup Flight Software (BFS) is a joint NASA/Lockheed Martin effort designed to prevent the loss of the Orion crew. BFS will only take over in the event the primary flight software (PFSW) fails to operate properly due to either hardware or software failures. Since the PFSW runs identical software on identical hardware, it is conceivable that a single issue could simultaneously bring down all the PFSW. To minimize the likelihood BFS would be affected by the same issue, BFS was specifically designed to be as different as possible from PFSW: BFS runs on different hardware, a separate operating system, a different compiler, does not share software libraries, and is written by a different team of programmers. This presentation will provide a high-level overview of the Artemis missions and the Orion vehicle, as well as provide additional details of the BFS system (including how BFS is different than the PFSW). The overall BFS capability evolution and timeline (milestones reached as well as work remaining) through the Artemis III mission will be discussed. Additionally, the verification and validation plans for BFS will be presented, describing how we ensure that only validated configuration data is loaded onto the flight vehicle. Finally, the presentation will close with lessons learned and future plans for Orion BFS.

Orion↗

Orion Backup Flight Software (BFS)

Orion Backup Flight Software (BFS) is a joint NASA/Lockheed Martin effort designed to prevent the loss of the Orion crew. BFS will only take over in the event the primary flight software (PFSW) fails to operate properly due to either hardware or software failures. Since the PFSW runs identical software on identical hardware, it is conceivable that a single issue could simultaneously bring down all the PFSW. To minimize the likelihood BFS would be affected by the same issue, BFS was specifically designed to be as different as possible from PFSW: BFS runs on different hardware, a separate operating system, a different compiler, does not share software libraries, and is written by a different team of programmers. This presentation will provide a high-level overview of the Artemis missions and the Orion vehicle, as well as provide additional details of the BFS system (including how BFS is different than the PFSW). The overall BFS capability evolution and timeline (milestones reached as well as work remaining) through the Artemis III mission will be discussed. Additionally, the verification and validation plans for BFS will be presented, describing how we ensure that only validated configuration data is loaded onto the flight vehicle. Finally, the presentation will close with lessons learned and future plans for Orion BFS.

CFS↗

Test oracle automation for V&V of an autonomous spacecraft's planner

We built automation to assist the software testing efforts associated with the Remote Agent experiment. In particular, our focus was upon introducing test oracles into the testing of the planning and scheduling system component. This summary is intended to provide an overview of the work.

testing test oracles verification validation analy↗

Flux in a 1D-Reactor Cell by Response Matrix

Legacy computational reactor physics software tools and protocols currently used for support of the Advanced Test Reactor (ATR) core fuel management and safety assurance, and to some extent, experiment management, are inconsistent with the state of modern nuclear engineering practice, and are difficult, if not impossible, to verify and validate (V&V) according to modern standards. Furthermore, the legacy staff knowledge required for effective application of these tools and protocols from the 1960s and 1970s is rapidly being lost due to staff turnover and retirements. Thus in late 2009, the Idaho National Laboratory (INL) initiated a focused effort, the ATR Core Modeling Update Project, to address this situation through the introduction of modern high-fidelity transport theory based computational software and models to replace the legacy methods, with appropriate (V&V) protocols according to applicable national standards.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Eyes On the Ground: Final Report

This report summarizes the work performed under the Sandia LDRD project "Eyes on the Ground: Visual Verification for On-Site Inspection." The goal of the project was to develop methods and tools to assist an IAEA inspector in assessing visual and other information encountered during an inspection. Effective IAEA inspections are key to verifying states' compliance with nuclear non-proliferation treaties. In the course of this work we developed a taxonomy of candidate inspector assistance tasks, selected key tasks to focus on, identified hardware and software solution approaches, and made progress in implementing them. In particular, we demonstrated the use of multiple types of 3-d scanning technology applied to simulated inspection environments, and implemented a preliminary prototype of a novel inspector assistance tool. This report summarizes the project's major accomplishments, and gathers the abstracts and references for the publication and reports that were prepared as part of this work. We then describe work in progress that is not yet ready for publication. Approved for public release; further dissemination unlimited.

47 OTHER INSTRUMENTATION↗

Eyes On the Ground (Final Report)

This report summarizes the work performed under the Sandia LDRD project "Eyes on the Ground: Visual Verification for On-Site Inspection." The goal of the project was to develop methods and tools to assist an IAEA inspector in assessing visual and other information encountered during an inspection. Effective IAEA inspections are key to verifying states' compliance with nuclear non-proliferation treaties. In the course of this work we developed a taxonomy of candidate inspector assistance tasks, selected key tasks to focus on, identified hardware and software solution approaches, and made progress in implementing them. In particular, we demonstrated the use of multiple types of 3-d scanning technology applied to simulated inspection environments, and implemented a preliminary prototype of a novel inspector assistance tool. This report summarizes the project's major accomplishments, and gathers the abstracts and references for the publication and reports that were prepared as part of this work. We then describe work in progress that is not yet ready for publication. Approved for public release; further dissemination unlimited.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Analysis of ZPPR-15 experimental data for VTR software validation

As part of the Versatile Test Reactor (VTR) program, extensive validation work is being performed to demonstrate the fidelity of the Argonne Reactor Code (ARC) software package presently used for the core design studies. It is anticipated that this software will be also used for initial operations although additional software may be introduced at a later time to supplement or replace some components. The validation work was focused on accumulating reactor models that are consistent with the VTR and thus can be used to validate the accuracy of predictions made by the software used to design and operate the VTR. The U.S. does not have any active experimental facilities that can neutronically mockup the VTR core design. However, in the past, the U.S. had extensive experimental facilities for fast reactor neutronics. In that regard, the ZPPR-15 experiments carried out at ANL during the 1980s work best because the fuel form is closest to the VTR design, there is a considerable amount of processed data available for use, and existing staff are already familiar with the experimental machine and measurements. Because of previous collaborative work, many of the ZPPR-15 loadings of interest have already been processed into MCNP and preliminary ARC models, and a full uncertainty quantification has already been completed for many of the ZPPR-15 measurements. This manuscript covers the recent analysis work on the ZPPR-15 experiments and compares it with the experimental results. With respect to the ARC software components, this manuscript focuses on validation of the MC 2 , DIF3D and GAMSOR using the ZPPR-15 experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Exascale Co-design for Modeling Materials in Extreme Environments

Computational materials science has provided great insight into the response of materials under extreme conditions that are difficult to probe experimentally. For example, shock-induced plasticity and phase transformation processes in single-crystal and nanocrystalline metals have been widely studied via large-scale molecular dynamics simulations, and many of these predictions are beginning to be tested at advanced 4th generation light sources such as the Advanced Photon Source (APS) and Linac Coherent Light Source (LCLS). I will describe our simulation predictions and their recent verification at LCLS, outstanding challenges in modeling the response of materials to extreme mechanical and radiation environments, and our efforts to tackle these as part of the multi-institutional, multi-disciplinary Exascale Co-design Center for Materials in Extreme Environments (ExMatEx). ExMatEx has initiated an early and deep collaboration between domain (computational materials) scientists, applied mathematicians, computer scientists, and hardware architects, in order to establish the relationships between algorithms, software stacks, and architectures needed to enable exascale-ready materials science application codes within the next decade. We anticipate that we will be able to exploit hierarchical, heterogeneous architectures to achieve more realistic large-scale simulations with adaptive physics refinement, and are using tractable application scale-bridging proxy application testbeds to assess new approaches and requirements. Such current scale-bridging strategies accumulate (or recompute) a distributed response database from fine-scale calculations, in a top-down rather than bottom-up multiscale approach.

36 MATERIALS SCIENCE↗