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Final Report to the National Energy Technology Laboratory on FY14- FY15 Cooperative Research with the Consortium for Electric Reliability Technology Solutions

The Power System Engineering Research Center (PSERC) engages in technological, market, and policy research for an efficient, secure, resilient, adaptable, and economic U.S. electric power system. PSERC, as a founding partner of the Consortium for Electric Reliability Technology Solutions (CERTS), conducted a multi-year program of research for U.S. Department of Energy (DOE) Office of Electricity Delivery and Energy Reliability (OE) to develop new methods, tools, and technologies to protect and enhance the reliability and efficiency of the U.S. electric power system as competitive electricity market structures evolve, and as the grid moves toward wide-scale use of decentralized generation (such as renewable energy sources) and demand-response programs. Phase I of OE’s funding for PSERC, under cooperative agreement DE-FC26-09NT43321, started in fiscal year (FY) 2009 and ended in FY2013. It was administered by DOE’s National Energy Technology Laboratory (NETL) through a cooperative agreement with Arizona State University (ASU). ASU provided sub-awards to the participating PSERC universities. This document is PSERC’s final report to NETL on the activities for OE, conducted through CERTS, from September 2015 through September 2017 utilizing FY 2014 to FY 2015 funding under cooperative agreement DE-OE0000670. PSERC is a thirteen-university consortium with over 30 industry members. Since 1996, PSERC has been engaged in research and education efforts with the mission of “empowering minds to engineer the future electric energy system.” Its work is focused on achieving: • An efficient, secure, resilient, adaptable, and economic electric power infrastructure serving society • A new generation of educated technical professionals in electric power • Knowledgeable decision-makers on critical energy policy issues • Sustained, quality university programs in electric power engineering. PSERC core research is funded by industry, with a budget supporting approximately 30 principal investigators and some 70 graduate students and other researchers. Its researchers are multi-disciplinary, conducting research in three principal areas: power systems, power markets and policy, and transmission and distribution technologies. The research is collaborative; each project involves researchers typically at two universities working with industry advisors who have expressed interest in the project. Examples of topics for recent PSERC research projects include grid integration of renewables and energy storage, new tools for taking advantage of increased penetration of real-time system measurements, advanced system protection methods to maintain grid reliability, and risk and reliability assessment of increasingly complex cyber-enabled power systems. A PSERC’s objective is to proactively address the technical and policy challenges of U.S. electric power systems. To achieve this objective, PSERC works with CERTS to conduct technical research on advanced applications and investigate the design of fair and transparent electricity markets; these research topics align with CERTS research areas 1 and 2: Real-time Grid Reliability Management (Area 1), and Reliability and Markets (Area 2). The CERTS research areas overlap with the PSERC research stems: Power Systems, Power Markets, and Transmission and Distribution Technologies, as described on the PSERC website (see http://www.pserc.org/research/research_program.aspx). The performers were with Arizona State University (ASU), Cornell University (CU), University of California at Berkeley (UCB), and University of Illinois at Urbana-Champaign (UIUC). PSERC research activities in the area of reliability and markets focused on electric market and power policy analyses. The resulting studies suggest ways to frame best practices using organized markets for managing U.S. grid assets reliably and to identify highest priority areas for improvement. PSERC research activities in the area of advanced applications focused on mid- to long-term software research and development, with anticipated outcomes that move innovative ideas toward real-world application. Under the CERTS research area of Real-time Grid Reliability Management, PSERC has been focused on Advanced Applications Research and Development (AARD), a subgroup of activities that works to develop advanced applications and tools to more effectively operate the electricity delivery system, by enabling advanced analysis, visualization, monitoring and alarming, and decision support capabilities for grid operators.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A new scenario framework for Climate Change Research: Scenario matrix architecture

In this paper, we present the scenario matrix architecture as part of the new scenario framework for climate change research. The matrix architecture focuses on a key question of current climate research, namely the identification of trade-offs and synergies (in terms of risks, costs and other consequences) of different adaptation and mitigation strategies. The framework has two main axes: 1) the level of forcing (as represented by the RCPs) and 2) different socio-economic reference pathways. The matrix can be used as a tool to guide new scenario development and analytical analysis. It can also be used as a heuristic tool for classifying new and existing scenarios for assessment. Key elements of the architecture, in particular the shared socio-economic reference pathways and the shared policy assumptions, are elaborated in other papers in this special issue.

Van Vuuren, Detlef↗

Rapid Automated Annotation and Analysis of N-Glycan Mass Spectrometry Imaging Data Sets Using NGlycDB in METASPACE

Imaging N-glycan spatial distribution in tissues using mass spectrometry imaging (MSI) is emerging as a promising tool in biological and clinical applications. However, there is currently no high throughput tool for visualization and molecular annotation of N-glycans in MSI data, which significantly slows down data processing and hampers the applicability of this approach. In this work, we present how METASPACE, an open-source cloud engine for molecular annotation of MSI data, can be used to automatically annotate, visualize, analyze, and interpret high-resolution mass spectrometry-based spatial N-glycomics data. METASPACE is an emerging tool in spatial metabolomics, but the lack of compatible glycan databases has limited its application for comprehensive N-glycan annotations from MSI datasets. We created NGlycDB, a public database of N-glycans, by adapting available glycan databases. We demonstrate the applicability of NGlycDB in METASPACE by analyzing MALDI-MSI data from formalin-fixed paraffin-embedded (FFPE) human kidney and mouse lung tissue sections. We added NGlycDB to METASPACE for public use, thus facilitating applications of MSI in glycobiology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CMS Full Simulation for Run 3

We report the status of the CMS full simulation for Run 3. During the long shutdown of the LHC a significant update has been introduced to the CMS code for simulation. The CMS geometry description is reviewed. Several important modifications were needed. CMS detector description software is migrated to the DD4Hep community developed tool. We will report on our experience obtained during the process of this migration. Geant4 10.7 is the CMS choice for Run 3 simulation productions. We will discuss arguments for this choice, the strategy of adaptation of a new Geant4 version, and will report on the physics performance of the CMS simulation. A special Geant4 Physics List configuration FTFP_BERT_EMM will be described, which provides a compromise between simulation accuracy and CPU performance. A significant fraction of time for simulation of CMS events is spent on tracking of charged particles in a magnetic field. In the CMS simulation a dynamic choice of Geant4 parameters for tracking in field is implemented. A new method is introduced into simulation of electromagnetic components of hadronic showers in the electromagnetic calorimeter of CMS. For low-energy electrons and positrons a parametrization of GFlash type is applied. Results of tests of this method will be discussed. In summary, we expect about 25% speedup of the CMS simulation production for Run 3 compared to the Run 2 simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Three-dimensional imaging of copper pillars using x-ray tomography within a scanning electron microscope: A simulation study based on synchrotron data

While microelectronic devices are frequently characterized with surface-sensitive techniques having nanometer resolution, interconnections used in 3D integration require 3D imaging with high penetration depth and deep sub-micrometer spatial resolution. X-ray tomography is well adapted to this situation. In this context, the purpose of this study is to assess a versatile and turn-key tomographic system allowing for 3D x-ray nanotomography of copper pillars. The tomography tool uses the thin electron beam of a scanning electron microscope (SEM) to provoke x-ray emission from specific metallic targets. Then, radiographs are recorded while the sample rotates in a conventional cone beam tomography scheme that ends up with 3D reconstructions of the pillar. Starting from copper pillars data, collected at the European Synchrotron Radiation Facility, we build a 3D numerical model of a copper pillar, paying particular attention to intermetallics. This model is then used to simulate physical radiographs of the pillar using the geometry of the SEM-hosted x-ray tomography system. Eventually, data are reconstructed and it is shown that the system makes it possible the quantification of 3D intermetallics volume in copper pillars. The paper also includes a prospective discussion about resolution issues.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

TILDA-V: A full-differential code for proton tracking in biological matter

Understanding the radiation-induced effects at the cellular level is of prime importance for predicting the fate of irradiated biological organisms. Thus, whether it is in radiobiology to identify the DNA critical lesions or in medicine to adapt the radio-therapeutic protocols, an accurate knowledge of the numerous interactions induced by charged particles in living matter is required. Monte-Carlo track-structure simulations represent the most suitable and powerful tools, in particular for modelling the full slowing-down of the ionizing particles in biological matter. Furthermore more of the existing codes are based on semi-empirical cross sections as well as the use of water as surrogate of the biological matter.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

EPICS for small-scale laboratories with Python soft IOCs

While the Experimental Physics and Industrial Control System (EPICS) is widely used at large laboratories for slow controls and instrumentation, the deployment of a full EPICS installation can be difficult, with a steep learning curve to new users. Taking advantage of the pythonSoftIOC module, we developed an EPICS slow controls implementation for Jefferson Lab's Hall B cryotarget written entirely in Python and based on software IOCs that communicate with instruments over Ethernet. Here, this system ran successfully, interfacing with Jefferson Lab's full EPICS network, and we offer it as an example of the capabilities of pythonSoftIOC to build lightweight, yet robust and flexible instrumentation platforms that would be easily adapted for use at a small-scale laboratory. University groups can use these examples to build complete slow controls systems, from device communication to data archiving and display, using open-source, mature EPICS tools and student-friendly Python as an alternative to expensive and proprietary systems such as LabVIEW.

Computing↗

Robotic arm development platform

A robotic arm development platform will provide the tools for SRNL to increase its competency in this area and allow customer demonstrations to be performed so they can visualize how the technology relates to their application. The objective is to set up an adaptable development platform that can easily be re-configured for a variety of demonstrations for collecting data that will help engage the customer. Collaborative robots are designed with built in features allowing them to safely operate alongside employees.

42 ENGINEERING↗

The Servicing Aid Tool

The Servicing Aid Tool (SAT) is a teleoperated manipulation system designed for use on the NSTS Orbiter. The system will assist EVA servicing of spacecraft such as the Hubble Space Telescope and Explorer platform. SAT components are spaceflight adaptations of existing ground-based designs from Robotics Research and Schilling Development. Fairchild Space is providing the control electronics, safety system, and flight integration. The manipulator consists of a 6-DOF Slave Arm mounted on a 1-DOF Positioning Link in the Payload Bay. The Slave Arm is controlled via a highly similar, 6-DOF, force-reflecting Master Arm. Each slave arm joint receives position commands from the corresponding master arm joint; torque commands are reflected to each master joint based on the current state of the slave joint and the master/slave relationship. Scaled and indexed control will be accommodated, as will various features to ensure safe operation. The paper will focus on the development of the safety system, and operations for the demonstration and servicing missions.

Pullen, John L.↗

FUN3D Manual: 12.5

This manual describes the installation and execution of FUN3D version 12.5, including optional dependent packages. FUN3D is a suite of computational uid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables ecient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

FUN3D Manual: 12.6

This manual describes the installation and execution of FUN3D version 12.6, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

FUN3D Manual: 12.7

This manual describes the installation and execution of FUN3D version 12.7, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

FUN3D Manual: 12.8

This manual describes the installation and execution of FUN3D version 12.8, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

FUN3D Manual: 12.9

This manual describes the installation and execution of FUN3D version 12.9, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

FUN3D Manual: 13.0

This manual describes the installation and execution of FUN3D version 13.0, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

Space Launch System Spacecraft and Payload Elements: Making Progress Toward First Launch

Significant and substantial progress continues to be accomplished in the design, development, and testing of the Space Launch System (SLS), the most powerful human-rated launch vehicle the United States has ever undertaken. Designed to support human missions into deep space, SLS is one of three programs being managed by the National Aeronautics and Space Administration's (NASA's) Exploration Systems Development directorate. The Orion spacecraft program is developing a new crew vehicle that will support human missions beyond low Earth orbit, and the Ground Systems Development and Operations (GSDO) program is transforming Kennedy Space Center (KSC) into next-generation spaceport capable of supporting not only SLS but also multiple commercial users. Together, these systems will support human exploration missions into the proving ground of cislunar space and ultimately to Mars. SLS will deliver a near-term heavy-lift capability for the nation with its 70 metric ton Block 1 configuration, and will then evolve to an ultimate capability of 130 metric tons. The SLS program marked a major milestone with the successful completion of the Critical Design Review in which detailed designs were reviewed and subsequently approved for proceeding with full-scale production. This marks the first time an exploration class vehicle has passed that major milestone since the Saturn V vehicle launched astronauts in the 1960s during the Apollo program. Each element of the vehicle now has flight hardware in production in support of the initial flight of the SLS - Exploration Mission-1 (EM-1), an uncrewed mission to orbit the moon and return, and progress in on track to meet the initial targeted launch date in 2018. In Utah and Mississippi, booster and engine testing are verifying upgrades made to proven shuttle hardware. At Michoud Assembly Facility (MAF) in Louisiana, the world's largest spacecraft welding tool is producing tanks for the SLS core stage. This paper will particularly focus on work taking place at Marshall Space Flight Center (MSFC) and United Launch Alliance (ULA) in Alabama, where upper stage and adapter elements of the vehicle are being constructed and tested. Providing the Orion crew capsule/launch vehicle interface and in-space propulsion via a cryogenic upper stage, the Spacecraft/Payload Integration and Evolution (SPIE) Element serves a key role in achieving SLS goals and objectives. The SPIE element marked a major milestone in 2014 with the first flight of original SLS hardware, the Orion Stage Adapter (OSA) which was used on Exploration Flight Test-1 with a design that will be used again on EM-1. Construction is already underway on the EM-1 Interim Cryogenic Propulsion Stage (ICPS), an in-space stage derived from the Delta Cryogenic Second Stage. Manufacture of the Orion Stage Adapter and the Launch Vehicle Stage Adapter is set to begin at the Friction Stir Facility located at MSFC while structural test articles are either completed (OSA) or nearing completion (Launch Vehicle Stage Adapter). An overview is provided of the launch vehicle capabilities, with a specific focus on SPIE Element qualification/testing progress, as well as efforts to provide access to deep space regions currently not available to the science community through a secondary payload capability utilizing CubeSat-class satellites.

Schorr, Andrew A.↗

FUN3D Manual: 13.1

This manual describes the installation and execution of FUN3D version 13.1, including optional dependent packages. FUN3D is a suite of computational fluid dynamics simulation and design tools that uses mixed-element unstructured grids in a large number of formats, including structured multiblock and overset grid systems. A discretely-exact adjoint solver enables efficient gradient-based design and grid adaptation to reduce estimated discretization error. FUN3D is available with and without a reacting, real-gas capability. This generic gas option is available only for those persons that qualify for its beta release status.

Biedron, Robert T.↗

JANNAF "Test and Evaluation Guidelines for Liquid Rocket Engines": Status and Application

For many decades, the U.S. rocket propulsion industrial base has performed remarkably in developing complex liquid rocket engines that can propel critical payloads into service for the nation, as well as transport people and hardware for missions that open the frontiers of space exploration for humanity. This has been possible only at considerable expense given the lack of detailed guidance that captures the essence of successful practices and knowledge accumulated over five decades of liquid rocket engine development. In an effort to provide benchmarks and guidance for the next generation of rocket engineers, the Joint Army Navy NASA Air Force (JANNAF) Interagency Propulsion Committee published a liquid rocket engine (LRE) test and evaluation (T&E) guideline document in 2012 focusing on the development challenges and test verification considerations for liquid rocket engine systems. This document has been well received and applied by many current LRE developers as a benchmark and guidance tool, both for government-driven applications as well as for fully commercial ventures. The USAF Space and Missile Systems Center (SMC) has taken an additional near-term step and is directing activity to adapt and augment the content from the JANNAF LRE T&E guideline into a standard for potential application to future USAF requests for proposals for LRE development initiatives and launch vehicles for national security missions. A draft of this standard was already sent out for review and comment, and is intended to be formally approved and released towards the end of 2017. The acceptance and use of the LRE T&E guideline is possible through broad government and industry participation in the JANNAF liquid propulsion committee and associated panels. The sponsoring JANNAF community is expanding upon this initial baseline version and delving into further critical development aspects of liquid rocket propulsion testing at the integrated stage level as well as engine component level, in order to advance the state of the practice. The full participation of the entire U.S. rocket propulsion industrial base is invited and expected at this opportune moment in the continuing advancement of spaceflight technology.

Parkinson, Douglas↗