12,748 research outputs found
Research and Education in Computational Science and Engineering
Over the past two decades the field of computational science and engineering
(CSE) has penetrated both basic and applied research in academia, industry, and
laboratories to advance discovery, optimize systems, support decision-makers,
and educate the scientific and engineering workforce. Informed by centuries of
theory and experiment, CSE performs computational experiments to answer
questions that neither theory nor experiment alone is equipped to answer. CSE
provides scientists and engineers of all persuasions with algorithmic
inventions and software systems that transcend disciplines and scales. Carried
on a wave of digital technology, CSE brings the power of parallelism to bear on
troves of data. Mathematics-based advanced computing has become a prevalent
means of discovery and innovation in essentially all areas of science,
engineering, technology, and society; and the CSE community is at the core of
this transformation. However, a combination of disruptive
developments---including the architectural complexity of extreme-scale
computing, the data revolution that engulfs the planet, and the specialization
required to follow the applications to new frontiers---is redefining the scope
and reach of the CSE endeavor. This report describes the rapid expansion of CSE
and the challenges to sustaining its bold advances. The report also presents
strategies and directions for CSE research and education for the next decade.Comment: Major revision, to appear in SIAM Revie
Scheduling Heterogeneous HPC Applications in Next-Generation Exascale Systems
Next generation HPC applications will increasingly time-share system resources with emerging workloads such as in-situ analytics, resilience tasks, runtime adaptation services and power management activities. HPC systems must carefully schedule these co-located codes in order to reduce their impact on application performance. Among the techniques traditionally used to mitigate the performance effects of time- share systems is gang scheduling. This approach, however, leverages global synchronization and time agreement mechanisms that will become hard to support as systems increase in size. Alternative performance interference mitigation approaches must be explored for future HPC systems. This dissertation evaluates the impacts of workload concurrency in future HPC systems. It uses simulation and modeling techniques to study the performance impacts of existing and emerging interference sources on a selection of HPC benchmarks, mini-applications, and applications. It also quantifies the cost and benefits of different approaches to scheduling co-located workloads, studies performance interference mitigation solutions based on gang scheduling, and examines their synchronization requirements. To do so, this dissertation presents and leverages a new Extreme Value Theory- based model to characterize interference sources, and investigate their impact on Bulk Synchronous Parallel (BSP) applications. It demonstrates how this model can be used to analyze the interference attenuation effects of alternative fine-grained OS scheduling approaches based on periodic real time schedulers. This analysis can, in turn, guide the design of those mitigation techniques by providing tools to understand the tradeoffs of selecting scheduling parameters
Exploring power behaviors and trade-offs of in-situ data analytics
pre-printAs scientific applications target exascale, challenges related to data and energy are becoming dominating concerns. For example, coupled simulation workflows are increasingly adopting in-situ data processing and analysis techniques to address costs and overheads due to data movement and I/O. However it is also critical to understand these overheads and associated trade-offs from an energy perspective. The goal of this paper is exploring data-related energy/performance trade-offs for end-to-end simulation workflows running at scale on current high-end computing systems. Specifically, this paper presents: (1) an analysis of the data-related behaviors of a combustion simulation workflow with an in-situ data analytics pipeline, running on the Titan system at ORNL; (2) a power model based on system power and data exchange patterns, which is empirically validated; and (3) the use of the model to characterize the energy behavior of the workflow and to explore energy/performance tradeoffs on current as well as emerging systems
A 3D Framework for Characterizing Microstructure Evolution of Li-Ion Batteries
Lithium-ion batteries are commonly found in many modern consumer devices, ranging from portable computers and mobile phones to hybrid- and fully-electric vehicles. While improving efficiencies and increasing reliabilities are of critical importance for increasing market adoption of the technology, research on these topics is, to date, largely restricted to empirical observations and computational simulations. In the present study, it is proposed to use the modern technique of X-ray microscopy to characterize a sample of commercial 18650 cylindrical Li-ion batteries in both their pristine and aged states. By coupling this approach with 3D and 4D data analysis techniques, the present study aimed to create a research framework for characterizing the microstructure evolution leading to capacity fade in a commercial battery. The results indicated the unique capabilities of the microscopy technique to observe the evolution of these batteries under aging conditions, successfully developing a workflow for future research studies
The role of ceramic and glass science research in meeting societal challenges: Report from an NSF-sponsored workshop
Under the sponsorship of the U.S. National Science Foundation, a workshop on emerging research opportunities in ceramic and glass science was held in September 2016. Reported here are proceedings of the workshop. The report details eight challenges identified through workshop discussions: Ceramic processing: Programmable design and assembly; The defect genome: Understanding, characterizing, and predicting defects across time and length scales; Functionalizing defects for unprecedented properties; Ceramic flatlands: Defining structure-property relations in free-standing, supported, and confined two-dimensional ceramics; Ceramics in the extreme: Discovery and design strategies; Ceramics in the extreme: Behavior of multimaterial systems; Understanding and exploiting glasses and melts under extreme conditions; and Rational design of functional glasses guided by predictive modeling. It is anticipated that these challenges, once met, will promote basic understanding and ultimately enable advancements within multiple sectors, including energy, environment, manufacturing, security, and health care
Thermophysical Phenomena in Metal Additive Manufacturing by Selective Laser Melting: Fundamentals, Modeling, Simulation and Experimentation
Among the many additive manufacturing (AM) processes for metallic materials,
selective laser melting (SLM) is arguably the most versatile in terms of its
potential to realize complex geometries along with tailored microstructure.
However, the complexity of the SLM process, and the need for predictive
relation of powder and process parameters to the part properties, demands
further development of computational and experimental methods. This review
addresses the fundamental physical phenomena of SLM, with a special emphasis on
the associated thermal behavior. Simulation and experimental methods are
discussed according to three primary categories. First, macroscopic approaches
aim to answer questions at the component level and consider for example the
determination of residual stresses or dimensional distortion effects prevalent
in SLM. Second, mesoscopic approaches focus on the detection of defects such as
excessive surface roughness, residual porosity or inclusions that occur at the
mesoscopic length scale of individual powder particles. Third, microscopic
approaches investigate the metallurgical microstructure evolution resulting
from the high temperature gradients and extreme heating and cooling rates
induced by the SLM process. Consideration of physical phenomena on all of these
three length scales is mandatory to establish the understanding needed to
realize high part quality in many applications, and to fully exploit the
potential of SLM and related metal AM processes
Statistical Mechanics and Information-Theoretic Perspectives on Complexity in the Earth System
Peer reviewedPublisher PD
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