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At least 577 records · Page 32

Cross-Cutting Software Solutions in Support of Experimental Analysis Challenges at National Scattering Facilities

Rapid improvements in instrumentation at neutron and light source combined with new capabilities in computing, data analytics, and machine learning offer unprecedented scientific capabilities to address fundamental and applied science questions in a wide area of subjects from quantum materials to biological systems. In order to make these capabilities accessible to the broader scientific community, significant developments are needed related to workflow spanning from experimental control to advanced materials simulations as well as the underpinning scientific software. In this chapter, we explore these needs and recent developments at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory. A central part of the workflow at the SNS is the data reduction framework Mantid which is developed as a partnership between European and US neutron-scattering facilities.

Proffen, Thomas↗

cuTS: Scaling Subgraph Isomorphism on Distributed Multi-GPUSystems Using Trie Based Data Structure

Subgraph isomorphism is a pattern-matching algorithm widely used in many domains such as chem-informatics, bioinformatics, databases, and social network analysis. It is computationally expensive and is a proven NP-hard problem. The massive parallelism offered by the GPU hardware is well suited for solving the subgraph isomorphism. However, current GPU implementations are far from the achievable performance. Moreover, the enormous memory requirement of current approaches limits the problem size that can be handled. This work analyzes the fundamental challenges associated with processing the subgraph isomorphism on GPUs and develops an efficient GPU hardware-aware implementation. We also develop a new GPU-friendly trie-based data structure to drastically reduce the intermediate storage space requirement. Hence, our approach runs larger benchmarks than the competitors. We also develop the first distributed sub-graph isomorphism algorithm for GPUs. Our experimental evaluation section demonstrates the efficacy of our approach by comparing the execution time and number of cases that we can handle against the state-of-the-art GPU implementations.

Xiang, Lizhi↗

LANL Crystal Cut (LCC)

Computes the atomic positions in cleaved crystal lattices. The current version of the code allows to cleave the lattices with different planes that are readily available. The cleavages can be performed on any type of lattices. The code constructs a slab that can be used to study surface properties.

Negre, Christian↗

Commercialization of Ultra-Hard Ceramics for Cutting Tools Final Report CRADA No. TC0279.0

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Greenleaf Corporation (Greenleaf) to develop the technology for forming unique precursor nano-powders process that can be consolidated into ceramic products for industry. LLNL researchers have developed a solgel process for forming nano-ceramic powders. The nano powders are highly tailorable, allowing the explicit design of desired properties that lead to ultra hard materials with fine grain size. The present CRADA would allow the two parties to continue the development of the sol-gel process and the consolidation process in order to develop an industrially sound process for the manufacture of these ultra-hard materials.

36 MATERIALS SCIENCE↗

Cross-cutting High Surface Area Graphene-based Frameworks with Controlled Pore Structure/Dopants

The goal of this project is to enhance the performance of graphene-based materials by manufacturing specific 3D architectures. The materials have global applications regarding fuel cell catalysts, gas adsorbents, supercapacitor/battery electrodes, ion (e.g., actinide) capture, gas separation, oil adsorption, and catalysis. This research focuses on hydrogen storage for hydrogen fuel cell vehicles with a potential transformational impact on hydrogen adsorbents that exhibit high gravimetric and volumetric density, a clean energy application sought by the Department of Energy. The development of an adsorbent material would enable broad commercial opportunities in hydrogen-fueled vehicles, promote new advanced nanomanufacturing scale-up, and open other opportunities at Savannah River National Laboratory to utilize a high surface area material that is robust, chemically stable, and radiation resistant.

36 MATERIALS SCIENCE↗

Chapter 13: Assessing Persistence and Other Evaluation Issues Cross-Cutting Protocol. The Uniform Methods Project: Methods for Determining Energy Efficiency Savings for Specific Measures

Addressing other evaluation issues that have been raised in the context of energy efficiency programs, this chapter focuses on methods used to address the persistence of energy savings, which is an important input to the benefit/cost analysis of energy efficiency programs and portfolios. In addition to discussing 'persistence' (which refers to the stream of benefits over time from an energy efficiency measure or program), this chapter provides a summary treatment of these issues -Synergies across programs -Rebound -Dual baselines -Errors in variables (the measurement and/or accuracy of input variables to the evaluation).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Chapter 12: Survey Design and Implementation for Estimating Gross Savings Cross-Cutting Protocol. The Uniform Methods Project: Methods for Determining Energy Efficiency Savings for Specific Measures

This chapter presents an overview of best practices for designing and executing survey research to estimate gross energy savings in energy efficiency evaluations. A detailed description of the specific techniques and strategies for designing questions, implementing a survey, and analyzing and reporting the survey procedures and results is beyond the scope of this chapter. So for each topic covered below, readers are encouraged to consult articles and books cited in References, as well as other sources that cover the specific topics in greater depth. This chapter focuses on the use of survey methods to collect data for estimating gross savings from energy efficiency programs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Chapter 9: Metering Cross-Cutting Protocol. The Uniform Methods Project: Methods for Determining Energy-Efficiency Savings for Specific Measures

Estimated energy savings are calculated as the difference between the energy use during the baseline period and the energy use during the post installation period of the EEM. This chapter describes the physical properties measured in the process of evaluating EEMs and the specific metering methods for several types of measurements. Skill-level requirements and other operating considerations are discussed, including where, when, and how often measurements should be made. The subsequent section identifies metering equipment types and their respective measurement accuracies. This is followed by sections containing suggestions regarding proper data handling procedures and the categorization and definition of several load types.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗