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At least 217 records · Page 12

Multi-Center Implementation of NPR 7123.1A: A Collaborative Effort

Collaboration efforts between MSFC and GRC Engineering Directorates to implement the NASA Systems Engineering (SE) Engine have expanded over the past year to include other NASA Centers. Sharing information on designing, developing, and deploying SE processes has sparked further interest based on the realization that there is relative consistency in implementing SE processes at the institutional level. This presentation will provide a status on the ongoing multi-center collaboration and provide insight into how these NPR 7123.1A SE-aligned directives are being implemented and managed to better support the needs of NASA programs and projects. NPR 7123.1A, NASA Systems Engineering Processes and Requirements, was released on March 26, 2007 to clearly articulate and establish the requirements on the implementing organization for performing, supporting, and evaluating SE activities. In early 2009, MSFC and GRC Engineering Directorates undertook a collaborative opportunity to share their research and work associated with developing, updating and revising their SE process policy to comply and align with NPR 7123.1A. The goal is to develop instructions, checklists, templates, and procedures for each of the 17 SE process requirements so that systems engineers will be a position to define work that is process-driven. Greater efficiency and more effective technical management will be achieved due to consistency and repeatability of SE process implementation across and throughout each of the NASA centers. An added benefit will be to encourage NASA centers to pursue and collaborate on joint projects as a result of using common or similar processes, methods, tools, and techniques.

Hall, Phillip B.↗

Axisymmetric Implementation for 3D-Based DSMC Codes

The primary objective in developing NASA s DSMC Analysis Code (DAC) was to provide a high fidelity modeling tool for 3D rarefied flows such as vacuum plume impingement and hypersonic re-entry flows [1]. The initial implementation has been expanded over time to offer other capabilities including a novel axisymmetric implementation. Because of the inherently 3D nature of DAC, this axisymmetric implementation uses a 3D Cartesian domain and 3D surfaces. Molecules are moved in all three dimensions but their movements are limited by physical walls to a small wedge centered on the plane of symmetry (Figure 1). Unfortunately, far from the axis of symmetry, the cell size in the direction perpendicular to the plane of symmetry (the Z-direction) may become large compared to the flow mean free path. This frequently results in inaccuracies in these regions of the domain. A new axisymmetric implementation is presented which aims to solve this issue by using Bird s approach for the molecular movement while preserving the 3D nature of the DAC software [2]. First, the computational domain is similar to that previously used such that a wedge must still be used to define the inflow surface and solid walls within the domain. As before molecules are created inside the inflow wedge triangles but they are now rotated back to the symmetry plane. During the move step, molecules are moved in 3D but instead of interacting with the wedge walls, the molecules are rotated back to the plane of symmetry at the end of the move step. This new implementation was tested for multiple flows over axisymmetric shapes, including a sphere, a cone, a double cone and a hollow cylinder. Comparisons to previous DSMC solutions and experiments, when available, are made.

Stewart, Benedicte↗

Implementation of a Goal-Based Systems Engineering Process Using the Systems Modeling Language (SysML)

Building upon the purpose, theoretical approach, and use of a Goal-Function Tree (GFT) being presented by Dr. Stephen B. Johnson, described in a related Infotech 2013 ISHM abstract titled "Goal-Function Tree Modeling for Systems Engineering and Fault Management", this paper will describe the core framework used to implement the GFTbased systems engineering process using the Systems Modeling Language (SysML). These two papers are ideally accepted and presented together in the same Infotech session. Statement of problem: SysML, as a tool, is currently not capable of implementing the theoretical approach described within the "Goal-Function Tree Modeling for Systems Engineering and Fault Management" paper cited above. More generally, SysML's current capabilities to model functional decompositions in the rigorous manner required in the GFT approach are limited. The GFT is a new Model-Based Systems Engineering (MBSE) approach to the development of goals and requirements, functions, and its linkage to design. As a growing standard for systems engineering, it is important to develop methods to implement GFT in SysML. Proposed Method of Solution: Many of the central concepts of the SysML language are needed to implement a GFT for large complex systems. In the implementation of those central concepts, the following will be described in detail: changes to the nominal SysML process, model view definitions and examples, diagram definitions and examples, and detailed SysML construct and stereotype definitions.

Patterson, Jonathan D.↗

Implementation of a Goal-Based Systems Engineering Process Using the Systems Modeling Language (SysML)

Building upon the purpose, theoretical approach, and use of a Goal-Function Tree (GFT) being presented by Dr. Stephen B. Johnson, described in a related Infotech 2013 ISHM abstract titled "Goal-Function Tree Modeling for Systems Engineering and Fault Management", this paper will describe the core framework used to implement the GFTbased systems engineering process using the Systems Modeling Language (SysML). These two papers are ideally accepted and presented together in the same Infotech session. Statement of problem: SysML, as a tool, is currently not capable of implementing the theoretical approach described within the "Goal-Function Tree Modeling for Systems Engineering and Fault Management" paper cited above. More generally, SysML's current capabilities to model functional decompositions in the rigorous manner required in the GFT approach are limited. The GFT is a new Model-Based Systems Engineering (MBSE) approach to the development of goals and requirements, functions, and its linkage to design. As a growing standard for systems engineering, it is important to develop methods to implement GFT in SysML. Proposed Method of Solution: Many of the central concepts of the SysML language are needed to implement a GFT for large complex systems. In the implementation of those central concepts, the following will be described in detail: changes to the nominal SysML process, model view definitions and examples, diagram definitions and examples, and detailed SysML construct and stereotype definitions.

Breckenridge, Jonathan T.↗

Developing Procedures to Implement Geometric Imperfections Beyond Right Circular Cylindrical Shells in Finite Element Method Models

Analysis of aerospace structures is frequently conducted using nominal dimensions and frequently assumes ideal conditions in loading, contact, constraints, et cetera. Off-nominal dimensions and nonideal conditions, however, are present in all structures. These are the result of widely ranging causes from coefficient of thermal expansion mismatches, manufacturing tooling anomalies, to assembly procedures that inadvertently alter the structure. Specifically, geometric imperfections can have potentially significant influence on the response of a structural test article observed in an experiment versus the response given by a numerical simulation. The Python Tool for Implementing Geometric Imperfections in Reduced Structures (Py_TIGIRS) was previously presented as a set of Python scripts to calculate and implement as-manufactured geometric midsurface and thickness imperfections into finite element method (FEM) shell models of nominally right circular cylinders. By taking advantage of the simple shape of a right circular cylinder, interpolations of the measured data points were able to be performed along directions that aligned to the cylindrical coordinate system axes of the entire structure. By taking advantage of the shell representation of the real structure as opposed to modeling using a continuum representation, the thickness variation was able to be implemented by shell section definitions instead of having to modify the position of multiple nodes in the thickness direction. Py_TIGIRS is a useful tool that established a procedural example on how to implement geometric imperfections in right circular cylindrical shell structures. Three new procedures, each expanded from concepts established in Py_TIGIRS, are proposed for various test-article designs and are intended to broaden the range of structures that can be modeled with measured geometric imperfections in the structural analysis community. Each test-article design introduces new challenges to successfully implement geometric imperfections into a FEM model. The first test-article design consists of a carbon fiber reinforced polymer square plate with a hat-shaped stiffener co-cured on one side. This test-article design was for a novel seven-point bend test that was also previously presented. Manufacturing and cure-cycle imperfections are observed using digital image correlation (DIC) techniques. As thermal expansion coefficient mismatches between the plate and stiffener materials were anticipated, a thermal analysis study with continuum shell and solid elements was conducted to capture the global shape observed prior to testing. The second test-article design is of a similar hat-stiffened plate configuration, but with a side length ratio near 3:1 with elongation in the stiffener direction. The test article was used to characterize the response to uniaxial compressive loading in the direction of the stiffener. Due to differing manufacturing steps, a thermal analysis like the one developed for the seven-point bend configuration was unable to mimic the observed geometric imperfections. Instead, a strategy based on applying deformations directly to the structure during analysis was developed for continuum shell and solid element representation of a stiffened panel.

Geometric imperfections↗

Risk-Reduction Autonomy Implementation to Enable NASA Artemis Missions

To achieve NASA’s Artemis program mission objectives a high level of autonomy and ubiquitous autonomy throughout the systems that are being developed will be necessary. The autonomous systems of Artemis will require a distributed autonomy capability, with autonomous systems organized functionally in a hierarchical architecture, where systems at higher levels of the hierarchy have authority over systems at lower levels. The challenge of developing autonomy technologies and concepts of operations for Artemis has been undertaken by the NASA Gateway Working Group. This group has developed requirements, architectures, concepts of operations, and interface control documents, in the context of a hierarchical distributed architecture that includes the following: a Vehicle System Manager (VSM) that autonomously manages the entire Gateway; Module System Managers (MSMs) that autonomously manage each module; and System Managers (SMs) that autonomously manage systems within a module(i.e. ECLSS).A substantially high level of autonomy needs to be achieved by each element of the hierarchy (VSM, MSM, SM)to meet requirements for uncrewed operations; this includes conditions that will have minimal and/or delayed ground intervention (i.e. requirements for sustainability for months of operation without crew or ground support). To advance an implementation of this autonomy design (Gateway Autonomy Design –GAD), a collaboration was established between the Autonomous Systems Laboratory (ASL) at NASA Stennis Space Center and Lockheed Martin. The objectives of this partnership were the following: (1)to implement autonomy at the VSM, MSM, and SM levels;(2) to implement communications among a VSM, 2 MSMs, ORION (a visiting vehicle somewhat equivalent to a module) and 1 SM (a power system), and (3) test autonomous operations with representative use cases. A SM backed by a high-fidelity simulation was created to facilitate demonstrations of use cases that originated in a system of a module. Communication between the VSM and MSMs was implemented according to Concepts of Operations and Interface Control Documents (ICDs). Demonstrations were conducted to address nominal and off-nominal operations and multi-module interactions with VSM. Additionally, user interfaces were created to provide awareness about ongoing processes and results while enhancing the demonstration. Demonstrations included the following use cases: (1)Orion as visiting vehicle registers with VSM;(2) VSM reschedules a module’s timelines when another module’s MSM task fails; and (3) a module’s Power System Manager (PSM) standalone demonstration that included component failure diagnostics, tracing component failure to effected components, which in turn, reports failure information up to the VSM for acknowledgement and display. This paper will describe the detailed technology and autonomous systems developed, and the integrated multi-module demonstrations conducted. Also, challenges that must be met to fully implement the GAD defined by Gateway will be addressed.

Autonomous Systems↗

Risk-Reduction Autonomy Implementation to Enable NASA Artemis Missions

To achieve NASA’s Artemis program mission objectives a high level of autonomy that is ubiquitous throughout the systems that are being developed will be necessary. The autonomous systems of Artemis will require a distributed autonomy capability, with autonomous systems organized functionally in a hierarchical architecture, where systems at higher levels of the hierarchy have authority over systems at lower levels. The challenge of developing autonomy technologies and Concepts of Operations (ConOps) for Artemis has been undertaken by the NASA Gateway Working Group. This group has developed requirements, architectures, ConOps, and interface control documents (ICDs), in the context of a hierarchical distributed architecture that includes the following: a Vehicle System Manager (VSM) that autonomously manages the entire Gateway; Module System Managers (MSMs) that autonomously manage each module; and System Managers (SMs) that autonomously manage systems within a module (i.e. ECLSS). A substantially high level of autonomy needs to be achieved by each element of the hierarchy (VSM, MSM, SM) to meet requirements for uncrewed operations; this includes conditions that will have minimal and/or delayed ground intervention (i.e. requirements for sustainability for months of operation without crew or ground support). To advance an implementation of this autonomy design (Gateway Autonomy Design – GAD), a collaboration was established between the Autonomous Systems Laboratory (ASL) at NASA Stennis Space Center and Lockheed Martin. The objectives of this partnership were the following: (1) to implement autonomy at the VSM, MSM, and SM levels; (2) to implement communications among a VSM, 2 MSMs, ORION (a visiting vehicle somewhat equivalent to a module) and 1 SM (a power system), and (3) test autonomous operations with representative use cases. A SM backed by a high-fidelity simulation was created to facilitate demonstrations of use cases that originated in a system of a module. Communication between the VSM and MSMs was implemented according to Concepts of Operations and Interface Control Documents (ICDs). Demonstrations were conducted to address nominal and off-nominal operations and multi-module interactions with the VSM. Additionally, user interfaces were created to provide awareness about ongoing processes and results while enhancing the demonstration. Demonstrations included the following use cases: (1) Orion as visiting vehicle registers with VSM; (2) VSM reschedules a module’s timelines when another module’s MSM task fails; and (3) a module’s Power System Manager (PSM) demonstration that included component failure diagnostics, tracing component failure to effected components, which in turn, reports failure information up to the VSM for acknowledgement and display. This paper will describe the detailed technology and autonomous systems developed, and the integrated multi-module demonstrations conducted. Also, challenges that must be met to fully implement the GAD defined by Gateway will be addressed.

Fernando Figueroa↗

IMPLEMENTING THE NFPA 805 PROCESS: Observations of a Technical Reviewer

In June 2004 the U.S. Nuclear Regulatory Commission (NRC) amended its fire protection requirements to permit existing nuclear power reactor licensees to voluntarily adopt fire protection requirements contained in National Fire Protection Association (NFPA) Standard 805. NFPA 805 is a performance-based standard for nuclear power plant fire protection that is an alternative to the deterministic, prescriptive fire protection requirements, such as 10 CFR 50 Appendix R, that was issued in 1980. One aspect of implementing NFPA 805 is that the licensee adopts the performance goals, objectives, and criteria for nuclear safety specified in the Standard. These goals, objectives, and criteria can be met through the implementation of deterministic approaches or performance-based approaches, including engineering analyses, probabilistic risk assessment, and fire modeling. Licensees voluntarily adopting the fire protection requirements in NFPA 805 must submit a license amendment request (LAR) to the NRC. The LAR provides the new proposed fire protection licensing basis, including the methodology and results of required evaluations and analyses that show how the NFPA 805 performance criteria are met. As of August 2014, licensees have submitted LARs for 26 nuclear power plants, representing 42 nuclear reactor units. Of these, 7 nuclear power plants, representing 10 nuclear reactor units, have been issued a safety evaluation (SE) by the NRC approving transition of their fire protection licensing basis to one that complies with NFPA 805. Pacific Northwest National Laboratory (PNNL) supports the NRC staff’s technical review of the LARs in the areas of fundamental fire protection, safe shutdown analysis, and Probabilistic Risk Assessment (PRA). PNNL, of course, cannot speak for the nuclear industry and its choice of implementation strategies or the NRC staff’s assessment of the approaches being taken to adopt NFPA 805. However, as a reviewer of the technical details of these submittals, PNNL is in a position to observe the array of implementation tactics taken in these submittals, and observe different ways licensees are making the NFPA 805 process work. For example, we see differences in how fire areas are being transitioned, the kinds of plant modifications being implemented, the changes being made to plant procedures, the number and types of recovery actions being credited, and the kinds and extent of detailed modeling being performed in support of the Fire PRAs. As a caveat, we note that it is probably too early to comment on the overall success or limitations of the NFPA 805 process or provide lessons learned for the future. Furthermore, it is not our intention to endorse any particular approach taken in a submittal over another or to critique the industry or the regulator. Rather our goal in this paper is to summarize a set of interesting and useful differences across submittals that may provide context for further future discussions about what we (i.e., reviewers, industry, and regulators) have learned in being part of the NFPA process; and how to best use that information to inform future NFPA 805 activities or other risk-informed endeavors.

NFPA 805, PRA, PSA, probabilistic risk assessment,↗

Portals Reference Implementation v. 1.0

The Portals reference implementation is based on the Portals 4.X API, published by Sandia National Laboratories as a freely available public document. It is designed to be an implementation of the Portals Networking Application Programming Interface and is used by several other upper layer protocols like SHMEM, GASNet and MPI. It is implemented over existing networks, specifically Ethernet and InfiniBand networks. This implementation provides Portals networks functionality and serves as a software emulation of Portals compliant networking hardware. It can be used to develop software using the Portals API prior to the debut of Portals networking hardware, such as Bull’s BXI interconnect, as well as a substitute for portals hardware on development platforms that do not have Portals compliant hardware. The reference implementation provides new capabilities beyond that of a typical network, namely the ability to have messages matched in hardware in a way compatible with upper layer software such as MPI or SHMEM. It also offers methods of offloading network operations via triggered operations, which can be used to create offloaded collective operations. Specific details on the Portals API can be found at http://portals4.org.

Grant, Ryan E.↗

OpenSHMEM Implementation of HPCG Benchmark

We describe the effort to implement the HPCG benchmark using OpenSHMEM and MPI one-sided communication. Unlike the High Performance LINPACK (HPL) benchmark that places em- phasis on large dense matrix computations, the HPCG benchmark is dominated by sparse operations such as sparse matrix-vector product, sparse matrix triangular solve, and long vector operations. The MPI one-sided implementation is developed using the one-sided OpenSHMEM implementation. Pre- liminary results comparing the original MPI, OpenSHMEM, and MPI one-sided implementations on an SGI cluster, Cray XK7 and Cray XC30 are presented. The results suggest the MPI, OpenSHMEM, and MPI one-sided implementations all obtain similar overall performance but the MPI one-sided im- plementation seems to slightly increase the run time for multigrid preconditioning in HPCG on the Cray XK7 and Cray XC30.

OpenSHMEM HPCG↗

Trial Implementation of the High-Impact, Low-Frequency Power Grid Event Risk Framework to Support Informed Decision-Making

In 2015, Pacific Northwest National Laboratory (PNNL) developed a multi-hazard risk-assessment framework for modeling high-impact, low-frequency (HILF) power grid events to support risk-informed decisions for power grid management and emergency planning. The identified framework elements are based on a systematic and comprehensive characterization of hazards to the level of detail required for modeling risk. In 2016, PNNL performed a trial implementation of the framework for a single hazard category and a set of key power grid asset types as a way to test the framework. A specific realization of a HILF event is referred to as an initiating event, or initiator. An initiating event is the manifestation of a hazard, and can be, for example, an earthquake of specified magnitude at a specified epicenter. Other examples of HILF events include geomagnetic disturbances and pandemics. For this test implementation, grid assets of a benchmark power system transmission network were assigned proxy geographical coordinates associated with Washington State locations; and real-world seismic hazard information was used for those locations. Based on the fragility of the grid assets to events of different severities, the set of possible failure scenarios (i.e., combinations of different asset failures) and their associated probabilities were determined, and recovery of grid assets and restoration of the network were considered. These combinations of failures and their subsequent recovery constitute a HILF event sequence that results in a given level of consequence, such as loss of power over a given geographic area for a given duration. The concurrent quantitative consideration of event probabilities and event consequences characterizes a risk model. For HILF event sequences, risk was expressed as expected unserved energy per year. This implementation demonstrates the feasibility and value of using the HILF event risk framework despite some of the identified challenges. This report discusses this trial implementation and presents risk results and insights from the implementation.

Veeramany, Arun↗

Efficient Implementation of Artificial Neural Networks for Sensor Data Analysis Based on a Genetic Algorithm

The reliability of many industrial processes depends on the sensor system. However, these sensors can be affected by noise, perturbations and failures. Hence, sensor monitoring and diagnosis are fundamental to guarantee the quality of an industrial process. Nowadays, artificial neural networks (ANN) are widely used in sensor signal processing and diagnosis. However, those ANNs usually require many artificial neurons, being difficult to implement in software and hardware due to their high computational costs. This paper presents an optimized implementation of artificial neurons in ANNs for sensor data analysis using a Genetic Algorithm (GA). The objective of GA is to find an adequate segmentation to reduce the activation function approximation error. One of the advantages of the proposed approach is that the cost function used in GA considers the effect of factors such as the ANN architecture or the number of bits used in arithmetic operations. The proposed ANN implementation technique aims to get the best possible approximation for a specific ANN architecture, making easier its implementation in software and hardware. Simulation and experimental results using FPGA (Field Programmable Gate Array) prove the advantages of the proposed approach for implementing sensor data analysis systems based on ANNs.

D estefani, André↗

Overcoming the barriers to implementation of decommissioning and environmental remediation projects, the CIDER project - 15160

Much remains to be done in terms of addressing the legacies from the early development of nuclear energy, including the dismantling of redundant research and fuel cycle facilities, research reactors, and power plants, and the remediation of sites affected by past uranium mining and processing operations. Long-term solutions still need to be found for management of the resulting waste, including development of disposal facilities that meet public acceptance and safety requirements. Some countries are moving forward with dealing with these legacies, and accordingly have built up appropriate technical resources and expertise, but many national programmes still face very significant challenges. Many are the factors that constrain progress in addressing past legacies. It is recognized the importance of early implementation of decommissioning and environmental remediation (D and ER) programmes in order to safeguard people and the environment from the undesirable effects of ionizing radiation and other hazards associated with these sites. There is also an urgent need to better understand the global status of these activities and to establish mechanisms to analyze and report the barriers impeding the implementation of D and ER programmes, with the aim of outlining actions that may improve the current situation. The IAEA has thus launched the CIDER Project (Constraints to Implementing Decommissioning and Environmental Remediation) with the broad aim of contributing to improve current levels of performance on D and ER programmes through promoting greater cooperation amongst its Member States and relevant international organizations. This paper provides early results from the first phase of the project. During this phase, a survey on the global situation of D and ER was undertaken in order to better understand why these programmes proceed faster in some countries than in others; to identify major constraining factors that affect the implementation of D and ER programmes and how these impediments might be overcome. The paper aims to address policy-level issues, regulatory aspects, technological aspects, and stakeholder involvement in the decision-making process. In the next phase of the project it is intended that specific actions and/or innovative approaches will be proposed at international, regional, or national levels with the goal of facilitating progress in programme implementation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Nuclear power plant risk-informed surveillance frequency control program implementation at the Duke Catawba nuclear plant with a focus on instrumentation and control systems - 333

This paper summarizes an updated process for risk-informed surveillance frequency control program (SFCP) implementation at the Catawba Nuclear Power Plant in the past year. This program includes selection and prioritization of specific target surveillance test interval extensions; and development, review, and implementation of surveillance test risk informed documented evaluation (STRIDE) packages designed to support extension of conventional surveillance requirement test intervals, in accordance with 'Risk-Informed Technical Specifications Initiative 5b, Risk-Informed Method for Control of Surveillance Frequencies, Industry Guideline,' NEI 04-10, Revision 1 . The scope of work associated with STRIDE development includes probabilistic risk assessment (PRA) case studies, deterministic assessment (DA) evaluations, and, where required, instrument drift evaluation (IDE). The STRIDE implementation efforts have also included support of independent decision-making panel (IDP) meetings at the implementing power stations and IDP member training. The purpose of this paper is to provide a presentation of a refined process for STRIDE development with a focus on instrumentation and control systems based on author experience, which includes support for the development of multiple STRIDE packages for the Catawba Nuclear Plant. This paper outlines a framework for practical implementation of an SFCP within the context of an integrated risk-informed performance-based regulation application program with emphasis on instrumentation and control systems. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Implementation of the Barcelona Basic Model into TOUGH-FLAC for simulations of the geomechanical behavior of unsaturated soils

This paper presents the implementation of the Barcelona Basic Model (BBM) into the TOUGH-FLAC simulator analyzing the geomechanical behavior of unsaturated soils. We implemented the BBM into TOUGH-FLAC by (1) extending an existing FLAC{sup 3D} module for the Modified Cam-Clay (MCC) model in FLAC{sup 3D} and (2) adding computational routines for suction-dependent strain and net stress (i.e., total stress minus gas pressure) for unsaturated soils. We implemented a thermo-elasto-plastic version of the BBM, wherein the soil strength depends on both suction and temperature. The implementation of the BBM into TOUGH-FLAC was verified and tested against several published numerical model simulations and laboratory experiments involving the coupled thermal-hydrological-mechanical (THM) behavior of unsaturated soils. The simulation tests included modeling the mechanical behavior of bentonite-sand mixtures, which are being considered as back-fill and buffer materials for geological disposal of spent nuclear fuel. We also tested and demonstrated the use of the BBM and TOUGH-FLAC for a problem involving the coupled THM processes within a bentonite-backfilled nuclear waste emplacement tunnel. The simulation results indicated complex geomechanical behavior of the bentonite backfill, including a nonuniform distribution of buffer porosity and density that could not be captured in an alternative, simplified, linear-elastic swelling model. As a result of the work presented in this paper, TOUGH-FLAC with BBM is now fully operational and ready to be applied to problems associated with nuclear waste disposal in bentonite-backfilled tunnels, as well as other scientific and engineering problems related to the mechanical behavior of unsaturated soils.

54 ENVIRONMENTAL SCIENCES↗

Implementing Molecular Dynamics on Hybrid High Performance Computers - Particle-Particle Particle-Mesh

The use of accelerators such as graphics processing units (GPUs) has become popular in scientific computing applications due to their low cost, impressive floating-point capabilities, high memory bandwidth, and low electrical power requirements. Hybrid high-performance computers, machines with nodes containing more than one type of floating-point processor (e.g. CPU and GPU), are now becoming more prevalent due to these advantages. In this paper, we present a continuation of previous work implementing algorithms for using accelerators into the LAMMPS molecular dynamics software for distributed memory parallel hybrid machines. In our previous work, we focused on acceleration for short-range models with an approach intended to harness the processing power of both the accelerator and (multi-core) CPUs. To augment the existing implementations, we present an efficient implementation of long-range electrostatic force calculation for molecular dynamics. Specifically, we present an implementation of the particle-particle particle-mesh method based on the work by Harvey and De Fabritiis. We present benchmark results on the Keeneland InfiniBand GPU cluster. We provide a performance comparison of the same kernels compiled with both CUDA and OpenCL. We discuss limitations to parallel efficiency and future directions for improving performance on hybrid or heterogeneous computers.

97 MATHEMATICS AND COMPUTING↗

Implementability of two-qubit unitary operations over the butterfly network and the ladder network with free classical communication

We investigate distributed implementation of two-qubit unitary operations over two primitive networks, the butterfly network and the ladder network, as a first step to apply network coding for quantum computation. By classifying two-qubit unitary operations in terms of the Kraus-Cirac number, the number of non-zero parameters describing the global part of two-qubit unitary operations, we analyze which class of two-qubit unitary operations is implementable over these networks with free classical communication. For the butterfly network, we show that two classes of two-qubit unitary operations, which contain all Clifford, controlled-unitary and matchgate operations, are implementable over the network. For the ladder network, we show that two-qubit unitary operations are implementable over the network if and only if their Kraus-Cirac number do not exceed the number of the bridges of the ladder.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Performance and Implementation Requirements for Residential EV Smart Charge Management Strategies

As the electrification of transportation expands, electric vehicle (EV) charging as residential loads will continue to grow. Residential EV charging has the potential to increase feeder peak loads and decrease voltage quality. As a result of this growing energy demand driven by EV, utilities may employ the use of smart charge management (SCM) controls to modify charging load profiles and mitigate these grid impacts. It is important that utilities understand both the potential benefits-as well as possible implementation challenges-before considering this technology as a solution to managing growing EV loads. In order for an SCM strategy to be an effective solution, the potential benefits must outweigh the implementation challenges. This study establishes and tests a novel framework to assess the implementation requirements of different SCM controls. It identifies a range of requirements specific to various SCM controls and implementation approaches to compare the relative challenges associated with the deployment of each. When paired with analysis on the effectiveness of the ability of each control to mitigate grid impacts from EV charging, this assessment is critical in comparing the value potential of different SCM controls.

ADVANCED PROPULSION SYSTEMS↗