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At least 1,801 records · Page 100

SISGR - In situ characterization and modeling of formation reactions under extreme heating rates in nanostructured multilayer foils

Materials subjected to extreme conditions, such as very rapid heating, behave differently than materials under more ordinary conditions. In this program we examined the effect of rapid heating on solid-state chemical reactions in metallic materials. One primary goal was to develop experimental techniques capable of observing these reactions, which can occur at heating rates in excess of one million degrees Celsius per second. One approach that we used is x-ray diffraction performed using microfocused x-ray beams and very fast x-ray detectors. A second approach is the use of a pulsed electron source for dynamic transmission electron microscopy. With these techniques we were able to observe how the heating rate affects the chemical reaction, from which we were able to discern general principles about how these reactions proceed. A second thrust of this program was to develop computational tools to help us understand and predict the reactions. From atomic-scale simulations were learned about the interdiffusion between different metals at high heating rates, and about how new crystalline phases form. A second class of computational models allow us to predict the shape of the reaction front that occurs in these materials, and to connect our understanding of interdiffusion from the atomistic simulations to measurements made in the laboratory. Both the experimental and computational techniques developed in this program are expected to be broadly applicable to a wider range of scientific problems than the intermetallic solid-state reactions studied here. For example, we have already begun using the x-ray techniques to study how materials respond to mechanical deformation at very high rates.

36 MATERIALS SCIENCE↗

Low Frequency Modulation of Extreme Temperature Regimes in a Changing Climate

The project examines long-term changes in extreme temperature episodes (ETE) associated with planetary climate modes (PCMs) in both the real atmospheric and climate model simulations. The focus is on cold air outbreaks (CAOs) and warm waves (WWs) occurring over the continental US during the past 60 winters. No significant long-term trends in either WWs or CAOs are observed over the US. The annual frequency of CAOs is affected by the (i) North Atlantic Oscillation (NAO) over the Southeast US and (ii) Pacific–North American (PNA) pattern over the Northwest US. WW frequency is influenced by the (i) NAO over the eastern US and (ii) combined influence of PNA, Pacific decadal oscillation (PDO), and ENSO over the southern US. The collective influence of PCMs accounts for as much as 50% of the regional variability in ETE frequency. During CAO (WW) events occurring over the southeast US, there are low (high) pressure anomalies at higher atmospheric levels over the southeast US with oppositely-signed pressure anomalies in the lower atmosphere over the central US. These patterns lead to anomalous northerly (for CAOs) or southerly (for WWs) flow into the southeast leading to cold or warm surface air temperature anomalies, respectively. One distinction is that CAOs involve substantial air mass transport while WW formation is more local in nature. The primary differences among event categories are in the origin and nature of the pressure anomaly features linked to ETE onset. In some cases, PCMs help to provide a favorable environment for event onset. Heat budget analyses indicate that latitudinal transport in the lower atmosphere is the main contributor to regional cooling during CAO onset. This is partly offset by adiabatic warming associated with subsiding air. Additional diagnoses reveal that this latitudinal transport is partly due to the remote physical influence of a shallow cold pool of air trapped along the east side of the Rocky Mountains. ETE and PCM behavior is also studied in (CMIP5) climate model simulations. Although the climate models considered are able to represent the overall behavior of ETEs, the frequency of WWs (CAOs) is too high (low) in many models. While all models qualitatively replicate the overall structure of the PNA pattern, a small minority of models fails to properly simulate the NAO pattern. Model shortcomings in representing the NAO and PNA patterns have important consequences for simulating associated regional variability in surface air temperature and storm track behavior. The influence of PCMs on ETEs is underestimated in most CMIP5 models. In particular, none of the models are able to accurately simulate observed linkages between ETEs and the PDO, due to a gross misrepresentation of the PDO pattern in most models. Our results indicate that predictions of future CAO and WW behavior are currently limited by the ability of climate models to accurately represent PCM characteristics. Our study also considers the behavior of PCMs known as annular modes. It is determined that north-south movements in the stratospheric jet stream (related to the Polar Annular Mode) result in long-lasting impacts upon surface weather conditions including regional air temperature anomalies. The structure and dynamics of the stratospheric northern annular mode (or SNAM, related to changes in the strength of the stratospheric jet stream) was studied in CMIP5 models. In models with poorly-resolved stratospheres, the amplitude of SNAM at stratospheric altitudes is typically too weak, consistent with weaker stratospheric jet variability. However, this distinction does not carry over to the associated tropospheric signature of SNAM. A regional analysis illustrates that most CMIP5 models (regardless of whether the stratosphere is well-resolved) have anomalously weak and eastward shifted (compared to observed SNAM events) storm track and sea level pressure anomaly patterns during SNAM events. Analyses of stratosphere–troposphere coupling reveal that large-scale wave activity in the stratosphere is anomalously weak in CMIP5 models having poorly-resolved stratospheres, due to correspondingly weak upward propagation of wave activity from the troposphere. This suggests that such models have anomalously weak stratosphere-troposphere coupling in association with SNAM events. Paradoxically, however, there is little apparent impact upon the attendant tropospheric variability.

54 ENVIRONMENTAL SCIENCES↗

A Pervasive Parallel Processing Framework for Data Visualization and Analysis at Extreme Scale

The evolution of the computing world from teraflop to petaflop has been relatively effortless, with several of the existing programming models scaling effectively to the petascale. The migration to exascale, however, poses considerable challenges. All industry trends infer that the exascale machine will be built using processors containing hundreds to thousands of cores per chip. It can be inferred that efficient concurrency on exascale machines requires a massive amount of concurrent threads, each performing many operations on a localized piece of data. Currently, visualization libraries and applications are based off what is known as the visualization pipeline. In the pipeline model, algorithms are encapsulated as filters with inputs and outputs. These filters are connected by setting the output of one component to the input of another. Parallelism in the visualization pipeline is achieved by replicating the pipeline for each processing thread. This works well for today’s distributed memory parallel computers but cannot be sustained when operating on processors with thousands of cores. Our project investigates a new visualization framework designed to exhibit the pervasive parallelism necessary for extreme scale machines. Our framework achieves this by defining algorithms in terms of worklets, which are localized stateless operations. Worklets are atomic operations that execute when invoked unlike filters, which execute when a pipeline request occurs. The worklet design allows execution on a massive amount of lightweight threads with minimal overhead. Only with such fine-grained parallelism can we hope to fill the billions of threads we expect will be necessary for efficient computation on an exascale machine.

97 MATHEMATICS AND COMPUTING↗

Modulation of extremes in the Atlantic region by modes of climate variability/change: A mechanistic coupled regional model study

During the course of this project, we have accomplished the following: 1) Explored the parameter space of component models to minimize regional model bias 2) Assessed the impact of air-sea interaction on hurricanes, focusing in particular on the role of the oceanic barrier layer 3) Contributed to the activities of the U.S. CLIVAR Hurricane Working Group 4) Assessed the impact of lateral and lower boundary conditions on extreme flooding events in the U.S. Midwest in regional model simulations 5) Analyzed the concurrent impact of El Niño-Southern Oscillation and Atlantic Meridional Mode on Atlantic Hurricane activity using observations and regional model simulations

58 GEOSCIENCES↗

Non-resonant Nanoscale Extreme Light Confinement

A wide spectrum of photonics activities Sandia is engaged in such as solid state lighting, photovoltaics, infrared imaging and sensing, quantum sources, rely on nanoscale or ultrasubwavelength light-matter interactions (LMI). The fundamental understanding in confining electromagnetic power and enhancing electric fields into ever smaller volumes is key to creating next generation devices for these programs. The prevailing view is that a resonant interaction (e.g. in microcavities or surface-plasmon polaritions) is necessary to achieve the necessary light confinement for absorption or emission enhancement. Here we propose new paradigm that is non-resonant and therefore broadband and can achieve light confinement and field enhancement in extremely small areas [~(λ/500)^2 ]. The proposal is based on a theoretical work[1] performed at Sandia. The paradigm structure consists of a periodic arrangement of connected small and large rectangular slits etched into a metal film named double-groove (DG) structure. The degree of electric field enhancement and power confinement can be controlled by the geometry of the structure. The key operational principle is attributed to quasistatic response of the metal electrons to the incoming electromagnetic field that enables non-resonant broadband behavior. For this exploratory LDRD we have fabricated some test double groove structures to enable verification of quasistatic electronic response in the mid IR through IR optical spectroscopy. We have addressed some processing challenges in DG structure fabrication to enable future design of complex sensor and detector geometries that can utilize its non-resonant field enhancement capabilities.].

77 NANOSCIENCE AND NANOTECHNOLOGY↗

XVis: Visualization for the Extreme-Scale Scientific-Computation Ecosystem (Mid-year report FY15 Q2)

The XVis project brings together the key elements of research to enable scientific discovery at extreme scale. Scientific computing will no longer be purely about how fast computations can be performed. Energy constraints, processor changes, and I/O limitations necessitate significant changes in both the software applications used in scientific computation and the ways in which scientists use them. Components for modeling, simulation, analysis, and visualization must work together in a computational ecosystem, rather than working independently as they have in the past. This project provides the necessary research and infrastructure for scientific discovery in this new computational ecosystem by addressing four interlocking challenges: emerging processor technology, in situ integration, usability, and proxy analysis.

97 MATHEMATICS AND COMPUTING↗

MaRIE 1.0 -- The Matter-Radiation Interactions in Extremes Project: Accelerating Qualification, Certification, and Assessment [Slides]

The Matter-Radiation Interactions in Extremes project will build the experimental facility for the time-dependent control of dynamic material performance. It will fill the knowledge gap between atomic-scale and engineering-continuum-scale facilities. An x-ray free electron laser at up to 42-keV fundamental energy and with photon pulses down to sub-nanosecond spacing, MaRIE 1.0 is designed to meet the challenges of time-dependent mesoscale materials science to allow accelerated qualification, certification, and assessment of materials solutions for critical national security missions. Those challenges will be outlined, the campaigns defined, and the resulting requirements presented for a coherent and brilliant x-ray source. The talk concludes with the prospects for the MaRIE project and opportunities for strategic partnering.

36 MATERIALS SCIENCE↗

In-Situ Acoustic Measurements of Temperature Profile in Extreme Environments

A gasifier’s temperature is the primary characteristic that must be monitored to ensure its performance and the longevity of its refractory. One of the key technological challenges impacting the reliability and economics of coal and biomass gasification is the lack of temperature sensors that are capable of providing accurate, reliable, and long-life performance in an extreme gasification environment. This research has proposed, demonstrated, and validated a novel approach that uses a noninvasive ultrasound method that provides real-time temperature distribution monitoring across the refractory, especially the hot face temperature of the refractory. The essential idea of the ultrasound measurements of segmental temperature distribution is to use an ultrasound propagation waveguide across a refractory that has been engineered to contain multiple internal partial reflectors at known locations. When an ultrasound excitation pulse is introduced on the cold side of the refractory, it will be partially reflected from each scatterer in the US propagation path in the refractory wall and returned to the receiver as a train of partial echoes. The temperature in the corresponding segment can be determined based on recorded ultrasonic waveform and experimentally defined relationship between the speed of sound and temperature. The ultrasound measurement method offers a powerful solution to provide continuous real time temperature monitoring for the occasions that conventional thermal, optical and other sensors are infeasible, such as the impossibility of insertion of temperature sensor, harsh environment, unavailable optical path, and more. Our developed ultrasound system consists of an ultrasound engineered waveguide, ultrasound transducer/receiver, and data acquisition, logging, interpretation, and online display system, which is simple to install on the existing units with minimal modification on the gasifier or use with new units. This system has been successfully tested with a 100 kW pilot scale down flow oxyfuel combustor, capturing in real time temperature changes during all relevant combustion process changes. The ultrasound measurements have excellent agreement with thermo- couple measurements, and appear to be more sensitive to temperature changes before the thermocouples response, which is believed to be the first demonstration of ultrasound measurements segmental temperature distribution across refractories.

47 OTHER INSTRUMENTATION↗

XVis: Visualization for the Extreme-Scale Scientific-Computation Ecosystem: Year-end report FY15 Q4.

The XVis project brings together the key elements of research to enable scientific discovery at extreme scale. Scientific computing will no longer be purely about how fast computations can be performed. Energy constraints, processor changes, and I/O limitations necessitate significant changes in both the software applications used in scientific computation and the ways in which scientists use them. Components for modeling, simulation, analysis, and visualization must work together in a computational ecosystem, rather than working independently as they have in the past. This project provides the necessary research and infrastructure for scientific discovery in this new computational ecosystem by addressing four interlocking challenges: emerging processor technology, in situ integration, usability, and proxy analysis.

97 MATHEMATICS AND COMPUTING↗

Final Report Extreme Computing and U.S. Competitiveness DOE Award. DE-FG02-11ER26087/DE-SC0008764

The Council has acted on each of the grant deliverables during the funding period. The deliverables are: (1) convening the Council’s High Performance Computing Advisory Committee (HPCAC) on a bi-annual basis; (2) broadening public awareness of high performance computing (HPC) and exascale developments; (3) assessing the industrial applications of extreme computing; and (4) establishing a policy and business case for an exascale economy.

97 MATHEMATICS AND COMPUTING↗

Final Report for Project. Quark matter under extreme conditions

The results obtained in the two years of the grant have served to shine new light on several important questions about the phases of quantum chromodynamics (QCD) under extreme conditions that include quark matter at high density, as well quark-gluon plasma at high temperatures, both in the presence of strong magnetic fields. The interest in including an external magnetic field on these studies is motivated by the generation of large magnetic fields in off-central heavy-ion collisions and by their common presence in astrophysical compact objects, the two scenarios where the physics of quark matter becomes relevant. The tasks carried out in this DOE project led us, among other things, to discover the first connection between the physics of very dense quark matter and novel materials as for instance topological insulators and Weyl semimetals; they allowed us to find a physical explanation for and a solution to a standing puzzle in the apparent effect of a magnetic field on the critical temperature of the QCD chiral transition; and they led us to establish by the first time that the core of the observed two-solar-mass neutron stars could be made up of quark matter in certain inhomogeneous chiral phases in a magnetic field and that this was consistent with current astrophysical observations. A major goal established by the Nuclear Science Advisory committee in its most recent report “Reaching for the Horizon” has been “to truly understand how nuclei and strongly interacting matter in all its forms behave and can predict their behavior in new settings.” The results found in this DOE project have all contributed to address this goal, and thus they are important for advancing fundamental knowledge in the area of nuclear physics and for enhancing our understanding of the role of strong magnetic fields in the two settings where they are most relevant, neutron stars and heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurement and Analysis of Extreme Wave and Ice Actions in the Great Lakes for Offshore Wind Platform Design

This project, funded by the Department of Energy as DE-EE0005376, successfully measured wind-driven lake ice forces on an offshore structure in Lake Superior through one of the coldest winters in recent history. While offshore regions of the Great Lakes offer promising opportunities for harvesting wind energy, these massive bodies of freshwater also offer extreme and unique challenges. Among these challenges is the need to anticipate forces exerted on offshore structures by lake ice. The parameters of interest include the frequency, extent, and movement of lake ice, parameters that are routinely monitored via satellite, and ice thickness, a parameter that has been monitored at discrete locations over many years and is routinely modeled. Essential relationships for these data to be of use in the design of offshore structures and the primary objective of this project are measurements of maximum forces that lake ice of known thicknesses might exert on an offshore structure.

17 WIND ENERGY↗

XVis: Visualization for the Extreme-Scale Scientific-Computation Ecosystem. Mid-year report FY16 Q2

The XVis project brings together the key elements of research to enable scientific discovery at extreme scale. Scientific computing will no longer be purely about how fast computations can be performed. Energy constraints, processor changes, and I/O limitations necessitate significant changes in both the software applications used in scientific computation and the ways in which scientists use them. Components for modeling, simulation, analysis, and visualization must work together in a computational ecosystem, rather than working independently as they have in the past. This project provides the necessary research and infrastructure for scientific discovery in this new computational ecosystem by addressing four interlocking challenges: emerging processor technology, in situ integration, usability, and proxy analysis.

97 MATHEMATICS AND COMPUTING↗

Advanced Dynamically Adaptive Algorithms for Stochastic Simulations on Extreme Scales

The focus of the project is the development of mathematical methods and high-performance com- putational tools for stochastic simulations, with a particular emphasis on computations on extreme scales. The core of the project revolves around the design of highly e cient and scalable numer- ical algorithms that can adaptively and accurately, in high dimensional spaces, resolve stochastic problems with limited smoothness, even containing discontinuities.

97 MATHEMATICS AND COMPUTING↗

360⁰ -View of Quantum Theory and Ab Initio Simulation at Extreme Conditions: 2014 Sanibel Symposium

The Sanibel Symposium 2014 was held February 16-21, 2014, at the King and Prince, St. Simons Island, GA. It was successful in bringing condensed-matter physicists and quantum chemists together productively to drive the emergence of those specialties. The Symposium had a significant role in preparing a whole generation of quantum theorists. The 54th Sanibel meeting looked to the future in two ways. We had 360⁰-View sessions to honor the exceptional contributions of Rodney Bartlett (70), Bill Butler (70), Yngve Öhrn (80), Fritz Schaefer (70), and Malcolm Stocks (70). The work of these five has greatly impacted several generations of quantum chemists and condensed matter physicists. The “360⁰” is the sum of their ages. More significantly, it symbolizes a panoramic view of critical developments and accomplishments in theoretical and computational chemistry and physics oriented toward the future. Thus, two of the eight 360⁰-View sessions focused specifically on younger scientists. The 360⁰-View program was the major component of the 2014 Sanibel meeting. Another four sessions included a sub-symposium on ab initio Simulations at Extreme Conditions, with focus on getting past the barriers of present-day Born-Oppenheimer molecular dynamics by advances in finite-temperature density functional theory, orbital-free DFT, and new all-numerical approaches.

360-view↗

Studies of nuclei under the extreme conditions of density, temperature, isospin asymmetry and the phase diagram of hadronic matter

The main emphasis of the entire project is on issues having to do with medium energy and ultra-relativistic energy and heavy ion collisions. A major goal of both theory and experiment is to study properties of hot dense nuclear matter under various extreme conditions and to map out the phase diagram in density or chemical potential and temperature. My studies in medium energy nuclear collisions focused on the liquid-gas phase transition and cluster yields from such transitions. Here I developed both the statistical model of nuclear multi-fragmentation and also a mean field theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Pervasive Parallel Processing Framework for Data Visualization and Analysis at Extreme Scale

Most of today’s visualization libraries and applications are based off of what is known today as the visualization pipeline. In the visualization pipeline model, algorithms are encapsulated as “filtering” components with inputs and outputs. These components can be combined by connecting the outputs of one filter to the inputs of another filter. The visualization pipeline model is popular because it provides a convenient abstraction that allows users to combine algorithms in powerful ways. Unfortunately, the visualization pipeline cannot run effectively on exascale computers. Experts agree that the exascale machine will comprise processors that contain many cores. Furthermore, physical limitations will prevent data movement in and out of the chip (that is, between main memory and the processing cores) from keeping pace with improvements in overall compute performance. To use these processors to their fullest capability, it is essential to carefully consider memory access. This is where the visualization pipeline fails. Each filtering component in the visualization library is expected to take a data set in its entirety, perform some computation across all of the elements, and output the complete results. The process of iterating over all elements must be repeated in each filter, which is one of the worst possible ways to traverse memory when trying to maximize the number of executions per memory access. This project investigates a new type of visualization framework that exhibits a pervasive parallelism necessary to run on exascale machines. Our framework achieves this by defining algorithms in terms of functors, which are localized, stateless operations. Functors can be composited in much the same way as filters in the visualization pipeline. But, functors’ design allows them to be concurrently running on massive amounts of lightweight threads. Only with such fine-grained parallelism can we hope to fill the billions of threads we expect will be necessary for efficient computation on an exascale computer. This project concludes with a functional prototype containing pervasively parallel algorithms that perform demonstratively well on many-core processors. These algorithms are fundamental for performing data analysis and visualization at extreme scale.

97 MATHEMATICS AND COMPUTING↗

Advanced Dynamically Adaptive Algorithms for Stochastic Simulations on Extreme Scales

The focus of the project is the development of mathematical methods and high-performance computational tools for stochastic simulations, with a particular emphasis on computations on extreme scales. The core of the project revolves around the design of highly efficient and scalable numerical algorithms that can adaptively and accurately, in high dimensional spaces, resolve stochastic problems with limited smoothness, even containing discontinuities.

97 MATHEMATICS AND COMPUTING↗

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