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Research Priorities to Incorporate Terrestrial-Aquatic Interfaces in Earth System Models. Workshop Report, September 7-9, 2016

The terrestrial-aquatic interface (TAI) is a highly dynamic component of the Earth system, developed from a near balance between terrestrial and aquatic conditions and forming unique processes and community assemblages. Furthermore, TAIs are known to play a critical role in carbon biogeochemical cycling and have the potential to provide major feedbacks to the Earth system (e.g., methane production). However, there is a lack of basic data and multiscale models to adequately describe how a changing climate can influence the key processes (also an unknown) related to Earth system–relevant feedbacks in these unique, ubiquitous ecosystems. In general, Earth system models (ESMs) have excluded TAI ecosystem processes, thus creating tremendous uncertainty as to how TAIs will influence climate feedbacks across a range of scales, spanning from local to global. For example, ESMs represent wetlands very simplistically at best (e.g., the Accelerated Climate Modeling for Energy project) and include only a static fraction of dry land or open water, entirely lacking key processes in these hybrid areas and critical climate and biological feedbacks between land and water. This new area of research, therefore, must integrate a variety of important research topics—plants, soil, hydrology, reactive transport, microbiology, genomics, and modeling—into a systems-level understanding that can be extended to improve predictive modeling capabilities. The goal of the September 2016 Research Priorities to Incorporate Terrestrial-Aquatic Interfaces in Earth System Models Workshop was to engage the scientific community in an open discussion about critical scientific gaps. These gaps and research topics demand immediate field investigations to gather data for representing these important, yet understudied and underrepresented, ecosystems in ESMs. Workshop results will inform the U.S. Department of Energy’s Office of Biological and Environmental Research (BER) as it plans and prepares for future research efforts that address the TAI gap through model-informed and model-inspired field studies. The resulting data will enable iterative refinement of high-resolution, next-generation ESMs. Specifically, the workshop (1) summarized past and current field, process, and modeling TAI research; (2) identified critical sensitivities and uncertainties in the systems; (3) identified key processes, traits, existing data, and environmental variables needed to adequately characterize these systems; and (4) discussed idealized strategies that couple models and experiments to advance the state of the science in TAI modeling, including potential experiments that would test and improve land model fidelity.

54 ENVIRONMENTAL SCIENCES↗

VEEP - Vehicle Economy, Emissions, and Performance program

VEEP is a general-purpose discrete event simulation program being developed to study the performance, fuel economy, and exhaust emissions of a vehicle modeled as a collection of its separate components. It is written in SIMSCRIPT II.5. The purpose of this paper is to present the design methodology, describe the simulation model and its components, and summarize the preliminary results. Topics include chief programmer team concepts, the SDDL design language, program portability, user-oriented design, the program's user command syntax, the simulation procedure, and model validation.

Heimburger, D. A.↗

2012 Gordon Research Conference on Cellular and Molecular Fungal Biology, Final Progress Report

The Gordon Research Conference on Cellular and Molecular Fungal Biology was held at Holderness School, Holderness New Hampshire, June 17 - 22, 2012. The 2012 Gordon Conference on Cellular and Molecular Fungal Biology (CMFB) will present the latest, cutting-edge research on the exciting and growing field of molecular and cellular aspects of fungal biology. Topics will range from yeast to filamentous fungi, from model systems to economically important organisms, and from saprophytes and commensals to pathogens of plants and animals. The CMFB conference will feature a wide range of topics including systems biology, cell biology and morphogenesis, organismal interactions, genome organisation and regulation, pathogenesis, energy metabolism, biomass production and population genomics. The Conference was well-attended with 136 participants. Gordon Research Conferences does not permit publication of meeting proceedings.

59 BASIC BIOLOGICAL SCIENCES↗

Job Management with mpi_jm

About this book: This book constitutes the refereed post-conference proceedings of 13 workshops held at the 33rd International ISC High Performance 2018 Conference, in Frankfurt, Germany, in June 2018: HPC I/O in the Data Center, HPC-IODC 2018; Workshop on Performance and Scalability of Storage Systems, WOPSSS 2018; 13th Workshop on Virtualization in High­-Performance Cloud Computing, VHPC 2018; Third International Workshop on In Situ Visualization, WOIV 2018; 4th International Workshop on Communication Architectures for HPC, Big Data, Deep Learning and Clouds at Extreme Scale, ExaComm 2018; International Workshop on OpenPOWER for HPC, IWOPH 2018; IXPUG Workshop: Many-Core Computing on Intel Processors; Workshop on Sustainable Ultrascale Computing Systems; Approximate and Transprecision Computing on Emerging Technologies, ATCET 2018; First Workshop on the Convergence of Large-Scale Simulation and Artificial Intelligence; Third Workshop for Open Source Supercomputing, OpenSuCo 2018; First Workshop on Interactive High-Performance Computing; Workshop on Performance Portable Programming Models for Accelerators, P^3MA 2018. The 53 full papers included in this volume were carefully reviewed and selected from 80 submissions. They cover all aspects of research, development, and application of large-scale, high performance experimental and commercial systems. Topics include HPC computer architecture and hardware; programming models, system software, and applications; solutions for heterogeneity, reliability, power efficiency of systems; virtualization and containerized environments; big data and cloud computing; and artificial intelligence.

Berkowitz, Evan↗

Flight Mechanics/Estimation Theory Symposium, 1989

Numerous topics in flight mechanics and estimation were discussed. Satellite attitude control, quaternion estimation, orbit and attitude determination, spacecraft maneuvers, spacecraft navigation, gyroscope calibration, spacecraft rendevous, and atmospheric drag model calculations for spacecraft lifetime prediction are among the topics covered.

Stengle, Thomas↗

Boson–Boson Interactions at the LHC

Vector boson scattering is a key production process to probe the electroweak symmetry breaking of the Standard Model and is one of the most important topics of the physics program for the HL-LHC since it involves both self-couplings of vector bosons and their coupling with the Higgs boson. If the Higgs mechanism is not the sole source of electroweak symmetry breaking, the scattering amplitude deviates from the Standard Model prediction at high scattering energy. Moreover, deviations may be detectable even if a New Physics scale is higher than the reach of direct searches. In this review, the most recent experimental measurements of the production cross sections of vector boson pairs in association with two jets in proton–proton collisions at $\sqrt{s}$ = 13 TeV at the LHC are reported, using data sets recorded by the ATLAS and CMS detectors. Applications to searches for New Physics, as well as prospects for measuring the electroweak vector boson scattering processes with larger data samples, are also summarized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Report on High-Fidelity Dynamic Modeling of a Coal-Fired Steam Power Plant

As a result of the growth of renewables including solar and wind energy with fluctuating production, fossil fuel power plants are being required to cycle between high and low power production. This cycling is both at a greater frequency and over a wider range than in the past. In many cases, power plants are not designed for this type of cycling operation but can nonetheless endure these challenging operation requirements under the right conditions. In this project, optimal solution for enhanced flexible operations are being investigated using model based estimation and control techniques. To support the development of model-based estimator and model-based controls at GE Global Research, GE Steam Power configured a dynamic model using a reference steam plant design including the boiler, turbine, and water/steam conditioning systems as well as the controls needed for plant cycling with stability and reliability. The dynamic model was built using the APROS® software from VTT, and then calibrated to multiple load conditions from full load (100%TMCR) to partial loads (75%TMCR, 50%TMCR and 25%TMCR) based on internally developed steady state heat balance models at the unit level. These internal heat balance models are based on first principles and extensive engineering experiences from GE Steam Power as an OEM and a services provider. This topical report presents the structure of the unit level dynamic model, the tuning process, and representative simulation results from typical load cycling simulations using the dynamic model.

01 COAL, LIGNITE, AND PEAT↗

Solid Rocket Motor Combustion Instability Modeling in COMSOL Multiphysics

Combustion instability modeling of Solid Rocket Motors (SRM) remains a topic of active research. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process, acoustics, and steady-state gas dynamics. Recent advances in defining the energy transport of disturbances within steady flow-fields have been applied by combustion stability modelers to improve the analysis framework. Employing this more accurate global energy balance requires a higher fidelity model of the SRM flow-field and acoustic mode shapes. The current industry standard analysis tool utilizes a one dimensional analysis of the time dependent fluid dynamics along with a quasi-three dimensional propellant grain regression model to determine the SRM ballistics. The code then couples with another application that calculates the eigenvalues of the one dimensional homogenous wave equation. The mean flow parameters and acoustic normal modes are coupled to evaluate the stability theory developed and popularized by Culick. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The current study employs the COMSOL Multiphysics finite element framework to model the steady flow-field parameters and acoustic normal modes of a generic SRM. This work builds upon previous efforts to verify the use of the acoustic velocity potential equation (AVPE) laid out by Campos. The acoustic velocity potential (psi) describing the acoustic wave motion in the presence of an inhomogeneous steady high-speed flow is defined by, del squared psi - (lambda/c) squared psi - M x [M x del((del)(psi))] - 2((lambda)(M)/c + M x del(M) x (del)(psi) - 2(lambda)(psi)[M x del(1/c)] = 0. with M as the Mach vector, c as the speed of sound, and λ as the complex eigenvalue. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluates the gas flow inside of a SRM using St. Robert's law to model the solid propellant burn rate, slip boundary conditions, and the supersonic outflow condition. Results from the HMNF model are verified by comparing the pertinent ballistics parameters with the industry standard code outputs (i.e. pressure drop, axial velocity, exit velocity). These results are then used by the coefficient form of the mathematics module to determine the complex eigenvalues of the AVPE. The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. The one way coupled analysis is perform four times utilizing geometries determined through traditional SRM modeling procedures. The results of the steady-state CFD and AVPE analyses are used to calculate the linear acoustic growth rate as is defined by Flandro and Jacob. In order to verify the process implemented within COMSOL we first employ the Culick theory and compare the results with the industry standard. After the process is verified, the Flandro/Jacob energy balance theory is employed and results displayed.

Fischbach, S. R.↗

Solid Rocket Motor Combustion Instability Modeling in COMSOL Multiphysics

Combustion instability modeling of Solid Rocket Motors (SRM) remains a topic of active research. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process, acoustics, and steady-state gas dynamics. Recent advances in defining the energy transport of disturbances within steady flow-fields have been applied by combustion stability modelers to improve the analysis framework [1, 2, 3]. Employing this more accurate global energy balance requires a higher fidelity model of the SRM flow-field and acoustic mode shapes. The current industry standard analysis tool utilizes a one dimensional analysis of the time dependent fluid dynamics along with a quasi-three dimensional propellant grain regression model to determine the SRM ballistics. The code then couples with another application that calculates the eigenvalues of the one dimensional homogenous wave equation. The mean flow parameters and acoustic normal modes are coupled to evaluate the stability theory developed and popularized by Culick [4, 5]. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The current study employs the COMSOL multiphysics finite element framework to model the steady flow-field parameters and acoustic normal modes of a generic SRM. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluates the gas flow inside of a SRM using St. Robert's law to model the solid propellant burn rate, no slip boundary conditions, and the hybrid outflow condition. Results from the HMNF model are verified by comparing the pertinent ballistics parameters with the industry standard code outputs (i.e. pressure drop, thrust, ect.). These results are then used by the coefficient form of the mathematics module to determine the complex eigenvalues of the Acoustic Velocity Potential Equation (AVPE). The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. The results of the steady-state CFD and AVPE analyses are used to calculate the linear acoustic growth rate as is defined by Flandro and Jacob [2, 3]. In order to verify the process implemented within COMSOL we first employ the Culick theory and compare the results with the industry standard. After the process is verified, the Flandro/Jacob energy balance theory is employed and results displayed.

Fischbach, Sean R.↗

Review of WEC-Sim Development and Applications

WEC-Sim (Wave Energy Converter Simulator) is an open-source code for simulating wave energy converters that has been actively developed and applied to simulate a wide variety of device archetypes, and has become a popular tool since its release. This paper reviews the development efforts and usage of WEC-Sim. The publications considered in this study have been broken down into six topic areas, namely, feature development, experimental validation, device modelling, control modelling, powertake-off (PTO) and grid modelling, and novel applications, which includes some non-wave energy applications. This review paper also recognizes the contributions of academic researchers and technology developers from around the world toward the broader WEC-Sim development effort. The growing number of external applications of WEC-Sim demonstrates a broader acceptance of the open-source code, and the ways WEC-Sim has been used in certain topic areas also highlight potential future development needs.

applications↗

Developing Fault Models for Space Mission Software

A viewgraph presentation on the development of fault models for space mission software is shown. The topics include: 1) Goal: Improve Understanding of Technology Fault Generation Process; 2) Required Measurement; 3) Measuring Structural Evolution; 4) Module Attributes; 5) Principal Components of Raw Metrics; 6) The Measurement Process; 7) View of Structural Evolution at the System and Module Level; 8) Identifying and Counting Faults; 9) Fault Enumeration; 10) Modeling Fault Content; 11) Modeling Results; 12) Current and Future Work; and 13) Discussion and Conclusions.

software measurements↗

Applicability of mathematical modeling to problems of environmental physiology

The paper traces the evolution of mathematical modeling and systems analysis from terrestrial research to research related to space biomedicine and back again to terrestrial research. Topics covered include: power spectral analysis of physiological signals; pattern recognition models for detection of disease processes; and, computer-aided diagnosis programs used in conjunction with a special on-line biomedical computer library.

White, Ronald J.↗

Modeling of Environmental-Economic Indicators of Regional Development

One of the current topical problems is the prediction of climate change and mitigation of its consequences. All-sided analysis of ecological, economic, and social aspects of climate issues relies on interdisciplinary assessment models. This article adapts the MERGE optimization model to the current state of the world economy and introduces into the model a new component that implements a simplified procedure of “green” GDP calculation (“green” GDP, or GGDP, provides information about the efficiency of use of environmental resources). The objective of our numerical simulations is to tests the consequences of Russia’s hypothetical participation in the program for reducing greenhouse gas (GHG) emissions and to analyze the environmental indicators of Russia’s GDP. The input data are mainly provided by the project of scenario conditions and main macroeconomic parameters for the forecasting of socio-economic development in Russia in the near future implemented by the Ministry of Economic Development of the Russian Federation. The calculations reveal the existence of reserves for Russia’s “painless” participation in environment-preserving initiatives that call for not exceeding the 1990 emission level in 2020–2025. At the same time, increasing the environmental efficiency of Russia’s GDP is a relevant task that requires immediate attention.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Kondo screening and magnetism at interfaces

The nature of magnetic order and transport properties near surfaces is a topic of great current interest. Here we model metal-insulator interfaces with a multilayer system governed by a tight-binding Hamiltonian in which the interaction is nonzero on one set of adjacent planes and zero on another. As the interface hybridization is tuned, magnetic and metallic properties undergo an evolution that reflects the competition between antiferromagnetism and (Kondo) singlet formation in a scenario similar to that occurring in heavy-fermion materials. For a few-layer system at intermediate hybridization, a Kondo insulating phase results, where magnetic order and conductivity are suppressed in all layers. As more insulating layers are added, magnetic order is restored in all correlated layers except that at the interface. Residual signs of Kondo physics are however evident in the bulk as a substantial reduction of the order parameter in the 2 to 3 layers immediately adjacent to the interfacial one. In conclusion, we find no signature of long-range magnetic order in the metallic layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

2011 Performance Assessment Community of Practice Technical Exchange – Summary

The Performance Assessment Community of Practice (PA CoP) was developed in 2008 to improve consistency and quality in the preparation of performance assessments (PAs) and risk assessments across the Department of Energy (DOE) Complex. The term, PA, is used to represent all of these modeling applications in this report. The PA CoP goals are to foster the exchange of information among PA practitioners and to share lessons learned from PAs conducted for DOE, commercial disposal facilities, and international entities. Technical exchanges and workshops are a cornerstone of PA CoP activities. Previous technical exchanges have addressed Engineered Barriers (2009 - http://www.cresp.org/education/workshops/pacop/), the Advanced Simulation Capability for Environmental Management and the Cementitious Barriers Partnership (2010 - http://srnl.doe.gov/copexchange/links.htm). Each technical exchange also includes summary presentations regarding activities at DOE, the Nuclear Regulatory Commission (NRC) and other organizations (e.g., International Atomic Energy Agency (IAEA)) as well as a number of presentations from selected sites to provide insight and perspective from on-going modeling activities. Through the deployment of PA Assistance Teams, the PA CoP has also been engaged in the development of new PAs across the DOE Complex. As a way of improving consistency in the preparation of new PAs, the teams provide technical advice and share experiences, noteworthy practices, and lessons learned from previous Low-Level Waste Disposal Facility Federal Review Group (LFRG) reviews. Teams have provided support for PAs at Hanford, Idaho, Paducah and Portsmouth. The third annual PA CoP Technical Exchange was held on May 25-26, 2011 in Atlanta, GA. The PA CoP Steering Committee Meeting held its first meeting on May 24 prior to the Technical Exchange. Decision making using models and software quality assurance were the topical emphasis for the exchange. A new feature at the 2011 technical exchange was the use of panel discussions to solicit feedback from regulators and practitioners. This report summarizes discussions and recommendations from the steering committee meeting and presentations and feedback obtained at the technical exchange. Appendix I includes the steering committee meeting agenda and Appendix II includes the agenda for the technical exchange and a screenshot of the presentations and video files that are available online.

99 GENERAL AND MISCELLANEOUS↗

Smart Grid Integration Laboratory

The initial federal funding for the Colorado State University Smart Grid Integration Laboratory is through a Congressionally Directed Project (CDP), DE-OE0000070 Smart Grid Integration Laboratory. The original program requested in three one-year increments for staff acquisition, curriculum development, and instrumentation all which will benefit the Laboratory. This report focuses on the initial phase of staff acquisition which was directed and administered by DOE NETL/ West Virginia under Project Officer Tom George. Using this CDP funding, we have developed the leadership and intellectual capacity for the SGIC. This was accomplished by investing (hiring) a core team of Smart Grid Systems engineering faculty focused on education, research, and innovation of a secure and smart grid infrastructure. The Smart Grid Integration Laboratory will be housed with the separately funded Integrid Laboratory as part of CSU's overall Smart Grid Integration Center (SGIC). The period of performance of this grant was 10/1/2009 to 9/30/2011 which included one no cost extension due to time delays in faculty hiring. The Smart Grid Integration Laboratory's focus is to build foundations to help graduate and undergraduates acquire systems engineering knowledge; conduct innovative research; and team externally with grid smart organizations. Using the results of the separately funded Smart Grid Workforce Education Workshop (May 2009) sponsored by the City of Fort Collins, Northern Colorado Clean Energy Cluster, Colorado State University Continuing Education, Spirae, and Siemens has been used to guide the hiring of faculty, program curriculum and education plan. This project develops faculty leaders with the intellectual capacity to inspire its students to become leaders that substantially contribute to the development and maintenance of Smart Grid infrastructure through topics such as: (1) Distributed energy systems modeling and control; (2) Energy and power conversion; (3) Simulation of electrical power distribution system that integrates significant quantities of renewable and distributed energy resources; (4) System dynamic modeling that considers end-user behavior, economics, security and regulatory frameworks; (5) Best practices for energy management IT control solutions for effective distributed energy integration (including security with the underlying physical power systems); (6) Experimental verification of effects of various arrangements of renewable generation, distributed generation and user load types along with conventional generation and transmission. Understanding the core technologies for enabling them to be used in an integrated fashion within a distribution network remains is a benefit to the future energy paradigm and future and present energy engineers.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Science and Technology Review (May 2021)

Lawrence Livermore has been on the forefront of cancer research for over 60 years. Early interest in cancer statistics stemmed from the nature of work, particularly how radiation affects humans. The Department of Energy funded research to investigate the effects of radiation on workers with long term exposure. This research quickly morphed into a wider breadth of cancer research topics, including the use of advanced computational models to investigate mutations in genes. Livermore is regarded as a leader in cancer research, from the Human Genome Center to its participation in the National Cancer Institute’s “Moonshot” project. The highly interdisciplinary Laboratory unites research in one more example: bringing together cancer biology, 3D printing, high-performance computing, big data, and materials science to address this pressing medical challenge.

36 MATERIALS SCIENCE↗