The New CMS DAQ System for Run-2 of the LHC
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46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
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TU-D-202-03: Gating Is the Best ITV Killer
Respiratory motion has long been recognized as an important factor affecting the precision of radiotherapy. After the introduction of the 4D CT to visualize the respiratory motion in 3D, the internal target volume (ITV) has been widely adopted as simple method to take the motion into account in treatment planning and delivery. The ITV is generated as the union of the CTVs as the patient goes through the respiratory cycle. Many issues have been identified with the ITV. In this session three alternatives for the ITV will be discussed: 1) An alternative motion-inclusive approach with better imaging and smaller margins, called mid-position CT. 2) The tracking approach and 3) The gating approach. The following topics will be addressed by Marcel van Herk (“Is ITV the correct motion encompassing strategy”): Magnitude of respiratory motion, effect of motion on radiotherapy, motion encompassing strategies, and software solutions to assist in motion encompassing strategies. Then Paul Keall (“Make margins simple: Use real-time target tracking”) will discuss tracking with: clinical drivers for tracking, current clinical status of tumor tracking, future tumor tracking technology, and margin margin challenges with and without tracking. Finally Daniel Low will discuss gating (“Gating is the best ITV killer”): why ITV in the first place, requirements for planning, requirements at the machine, benefits and costs. The session will end with a discussion and live demo of motion simulation software to illustrate the issues and explain the relative benefit and appropriate uses for the three methods. Learning Objectives: Explain the 4D imaging and treatment planning process. Summarize the various approaches to deal with respiratory motion during radiotherapy Discuss the tradeoffs involved when choosing one of the three discussed approaches. Explain in which situation each method is the best choice Research is partly funded by Elekta Oncology Systems and the Dutch Cancer Foundation; M. van Herk, Part of the research was funded by Elekta Oncology Systems and the Dutch Cancer Foundation.
60 APPLIED LIFE SCIENCES↗
Mesoscale Connections Summer 2017
Our challenge derives from the fact that in metals or explosives grains, interfaces and defects control engineering performance in ways that are neither amenable to continuum codes (which fail to rigorously describe the heterogeneities derived from microstructure) nor computationally tractable to first principles atomistic calculations. This is a region called the mesoscale, which stands at the frontier of our desire to translate fundamental science insights into confidence in aging system performance over the range of extreme conditions relevant in a nuclear weapon. For dynamic problems, the phenomena of interest can require extremely good temporal resolutions. A shock wave traveling at 1000 m/s (or 1 mm/μs) passes through a grain with a diameter of 1 micron in a nanosecond (10-9 sec). Thus, to observe the mesoscale phenomena—such as dislocations or phase transformations—as the shock passes, temporal resolution better than picoseconds (10-12 sec) may be needed. As we anticipate the science challenges over the next decade, experimental insights on material performance at the micron spatial scale with picosecond temporal resolution—at the mesoscale— are a clear challenge. This is a challenge fit for Los Alamos in partnership with our sister labs and academia. Mesoscale Connections will draw attention to our progress as we tackle the mesoscale challenge. We hope you like it and encourage suggestions of content you are interested in.
36 MATERIALS SCIENCE↗
A Spatiotemporal Sequence Forecasting Platform to Advance the Prediction of Changing Spatiotemporal Patterns of CO 2 Concentration by Incorporating Human Activity and Hydrological Extremes
Focal Areas (2): Predictive modeling using AI techniques and AI-derived model components. It describes the use of AI and other tools to design a prediction system comprising a hierarchy of models. Specifically, this white paper focuses on the development of a collaborative deep learning platform for evaluating and predicting spatiotemporal relationships between the hydrological and carbon cycles and includes capabilities for considering biogenic and anthropogenic inputs to these systems.
54 ENVIRONMENTAL SCIENCES↗
Advancing Regional Climate Predictability through ML-enabled Dynamical System Approach
Focal area: Predictive modeling through the use of AI techniques and AI-derived model components; the use of AI and other tools to design a prediction system comprising of a hierarchy of models.
54 ENVIRONMENTAL SCIENCES↗
Autonomous navigation preparations for future unmanned space missions
In order to prepare for the era of autonomous navigation, this paper first examines existing techniques for spacecraft navigation by describing the basic elements of the Mark-I and II navigation technologies. The remainder of the paper deals with identification of criteria which necessitate onboard navigation, and with promising solutions now under consideration. An attractive solution possibility is proposed which utilizes narrow-angle optics, a charge-coupled device area-array image sensor, a small advanced onboard flight computer, and a simplified set of software algorithms. Onboard commands would be derived and sent to the appropriate spacecraft attitude control, propulsion, and science platform pointing subsystems. The proposed autonomous navigation system does not address all mission options, but focuses primarily on precision approach trajectory control and adaptive science instrument pointing for asteroid, cometary, and outer planet satellite missions.
Kohlhase, C. E.↗
Executive control systems in the engineering design environment
Executive Control Systems (ECSs) are software structures for the unification of various engineering design application programs into comprehensive systems with a central user interface (uniform access) method and a data management facility. Attention is presently given to the most significant determinations of a research program conducted for 24 ECSs, used in government and industry engineering design environments to integrate CAD/CAE applications programs. Characterizations are given for the systems' major architectural components and the alternative design approaches considered in their development. Attention is given to ECS development prospects in the areas of interdisciplinary usage, standardization, knowledge utilization, and computer science technology transfer.
Hurst, P. W.↗
Space Telescope Antenna Pointing System analysis and test
The Space Telescope (ST), carrying five astronomy instruments, is a long-life spacecraft designed to achieve and maintain ultrafine stabilization jitter performance. The rms jitter specification for pointing performance is 7 marcsec (1sigma) during periods of scientific observation. Spacecraft attitude control is achieved by onboard computer processing of attitude and rate sensor data to generate reaction-wheel torque commands. The ST Antenna Pointing System is used to position a high-gain antenna for relaying science and engineering data from the spacecraft to the ground station.
Dodder, R.↗
EOSDIS - Its role in the EOS program and its importance to the scientific community
In order to manage the global data sets required to understand the earth as a system, the EOS Data and Information System (EOSDIS) will collect and store satellite, aircraft, and in situ measurements and their resultant data products, and will distribute the data conveniently. EOSDIS will also provide product generation and science computing facilities to support the development, processing, and validation of standard EOS science data products. The overall architecture of EOSDIS, and how the Distributed Active Archive Centers fit into that structure, are shown. EOSDIS will enable users to query data bases nationally, make use of keywords and other mnemonic identifiers, and see graphic images of subsets of available data prior to ordering full (or selected pieces of) data sets for use in their 'home' environment.
Price, Robert D.↗
Aerodynamics of a Uranus Aerocapture System Using a Mars-Heritage Entry Vehicle
Aerodynamic characteristics of an aerocapture system intended to deliver a flagship-class orbiter and probe planetary science mission to Uranus are presented. The aeroshell of the Mars Science Laboratory and Mars 2020 entry vehicles is proposed as a baseline for this system to reduce the amount of necessary technology development. Direct Simulation Monte Carlo and Navier-Stokes computational fluid dynamics solutions are used to characterize the aerodynamic performance of the Mars-heritage vehicle for aerocapture flight at Uranus. These results are incorporated into an aerodatabase for use in six degree-of-freedom trajectory studies and mission design. Updates are made to the Mars-heritage aerodynamic uncertainty model based on observations in the Uranus-specific computational data to ensure the model is conservatively bounding for the proposed flight space. Necessary modifications to the aeroshell for system packaging are found to have minimal effect on aerodynamic performance. The resulting aerodatabase and uncertainty model are used to show the existing Mars-heritage entry vehicles have sufficient aerodynamic performance to achieve required control margin for Uranus aerocapture.
Eli R Shellabarger↗
Aerodynamics of a Uranus Aerocapture System Using a Mars-Heritage Entry Vehicle
Aerodynamic characteristics of an aerocapture system intended to deliver a flagship-class orbiter and probe planetary science mission to Uranus are presented. The aeroshell of the Mars Science Laboratory and Mars 2020 entry vehicles is proposed as a baseline for this system to reduce the amount of necessary technology development. Direct Simulation Monte Carlo and Navier-Stokes computational fluid dynamics solutions are used to characterize the aerodynamic performance of the Mars-heritage vehicle for aerocapture flight at Uranus. These results are incorporated into an aerodatabase for use in six degree-of-freedom trajectory studies and mission design. Updates are made to the Mars-heritage aerodynamic uncertainty model based on observations in the Uranus-specific computational data to ensure the model is conservatively bounding for the proposed flight space. Necessary modifications to the aeroshell for system packaging are found to have minimal effect on aerodynamic performance. The resulting aerodatabase and uncertainty model are used to show the existing Mars-heritage entry vehicles have sufficient aerodynamic performance to achieve required control margin for Uranus aerocapture.
Eli Shellabarger↗
An evaluation of the E3SMv1 Arctic ocean and sea-ice regionally refined model
The Energy Exascale Earth System Model (E3SM) is a state-of-the-science Earth system model (ESM) with the ability to focus horizontal resolution of its multiple components in specific areas. Regionally refined global ESMs are motivated by the need to explicitly resolve, rather than parameterize, relevant physics within the regions of refined resolution, while offering significant computational cost savings relative to the respective cost of configurations with high-resolution (HR) everywhere on the globe. In this paper, we document results from the first Arctic regionally refined E3SM configuration for the ocean and sea-ice components (E3SM-Arctic-OSI), while employing data-based atmosphere, land, and hydrology components. Our aim is an improved representation of the Arctic coupled ocean and sea-ice state, its variability and trends, and the exchanges of mass and property fluxes between the Arctic and the sub-Arctic. We find that E3SM-Arctic-OSI increases the realism of simulated Arctic ocean and sea-ice conditions compared to a similar low-resolution E3SM simulation without the Arctic regional refinement in ocean and sea-ice components (E3SM-LR-OSI). In particular, exchanges through the main Arctic gateways are greatly improved with respect to E3SM-LR-OSI. Other aspects, such as the Arctic freshwater content variability and sea-ice trends, are also satisfactorily simulated. Yet, other features, such as the upper-ocean stratification and the sea-ice thickness distribution, need further improvements, involving either more advanced parameterizations, model tuning, or additional grid refinements. Overall, E3SM-Arctic-OSI offers an improved representation of the Arctic system relative to E3SM-LR-OSI, at a fraction (15 %) of the computational cost of comparable global high-resolution configurations, while permitting exchanges with the lower-latitude oceans that cannot be directly accounted for in Arctic regional models.
54 ENVIRONMENTAL SCIENCES↗
Molecular Electronic Level Alignment at Weakly Coupled Organic Film/Metal Interfaces
Electronic level alignment at interfaces of molecular materials with inorganic semiconductors and metals controls many interfacial phenomena. How the intrinsic properties of the interacting systems define the electronic structure of their interface remains one of the most important problems in molecular electronics and nanotechnology that can be solved through a combination of surface science experimental techniques and theoretical modeling. In this article, we address this fundamental problem through experimental and computational studies of molecular electronic level alignment of thin films of C6F6 on noble metal surfaces. The unoccupied electronic structure of C6F6 is characterized with single molecule resolution using low-temperature scanning tunneling microscopy-based constant-current distance-voltage spectroscopy. The experiments are performed on several noble metal surfaces with different work functions and distinct surface-normal projected band structures. In parallel, the electronic structures of the quantum wells (QWs) formed by the lowest unoccupied molecular orbital state of the C6F6 monolayer and multilayer films and their alignment with respect to the vacuum level of the metallic substrates are calculated by solving the Schrödinger equation for a semiempirical one-dimensional (1D) potential of the combined system using input from density functional theory. Our analysis shows that the level alignment for C6F6 molecules bound through weak van der Waals interactions to noble metal surfaces is primarily defined by the image potential of metal, the electron affinity of the molecule, and the molecule surface distance. We expect the same factors to determine the interfacial electronic structure for a broad range of molecule/metal interfaces.
Environmental Molecular Sciences Laboratory↗
Learning from Five-year Resource-Utilization Data of Titan System
Titan was the flagship supercomputer at the Oak Ridge Leadership Computing Facility (OLCF). It was deployed in late 2012, became the fastest supercomputer in the world and was retired on August 2, 2019. With Titan's mission complete, this paper provides a first-order examination of the usage of its critical resources (CPU, Memory, GPU, and I/O) over a five-year production period (2015-2019). In particular, we show quantitatively that the majority of CPU time was spent on the large-scale jobs, which is consistent with the policy of driving ground-breaking science through leadership computing. We also corroborate the general observation of the low CPU-memory usage with 95% jobs utilizing only 15% or less available memory. Additionally, we correlate the increase of total job submissions and the decrease of GPU-enabled jobs during 2016 with the GPU reliability issue which impacted the large-scale runs. We further show the surprising read/write ratio over the five-year period, which contradicts the general mindset of the large-scale simulation machines being “write-heavy”. This understanding will have potential impact on how we design our next-generation large-scale storage systems. We believe that our analyses and findings are going to be of great interest to the high-performance computing (HPC) community at large.
Wang, Feiyi↗
Comparing the Performance of Julia on CPUs versus GPUs and Julia-MPI versus Fortran-MPI: a case study with MPAS-Ocean (Version 7.1)
Abstract. Some programming languages are easy to develop at the cost of slow execution, while others are fast at runtime but much more difficult to write. Julia is a programming language that aims to be the best of both worlds – a development and production language at the same time. To test Julia's utility in scientific high-performance computing (HPC), we built an unstructured-mesh shallow water model in Julia and compared it against an established Fortran-MPI ocean model, the Model for Prediction Across Scales–Ocean (MPAS-Ocean), as well as a Python shallow water code. Three versions of the Julia shallow water code were created: for single-core CPU, graphics processing unit (GPU), and Message Passing Interface (MPI) CPU clusters. Comparing identical simulations revealed that our first version of the Julia model was 13 times faster than Python using NumPy, where both used an unthreaded single-core CPU. Further Julia optimizations, including static typing and removing implicit memory allocations, provided an additional 10–20× speed-up of the single-core CPU Julia model. The GPU-accelerated Julia code was almost identical in terms of performance to the MPI parallelized code on 64 processes, an unexpected result for such different architectures. Parallelized Julia-MPI performance was identical to Fortran-MPI MPAS-Ocean for low processor counts and ranges from 2× faster to 2× slower for higher processor counts. Our experience is that Julia development is fast and convenient for prototyping but that Julia requires further investment and expertise to be competitive with compiled codes. We provide advice on Julia code optimization for HPC systems.
54 ENVIRONMENTAL SCIENCES↗
Biokinetic and Dosimetric Models [Slides]
Presentation describes internal dosimetry as an intersection of disciplines involving Physiology, Anatomy, Physics, Mathematics and Computer Science, which some people call "The art of Internal Dosimetry". The basic components for internal dose calculations are: Biokinetic (metabolic) models describing the intake, distribution, retention and excretion of radionuclides in the body, Dosimetric models describing the interaction of radiation within the several body organs and tissues, and System of dose limitation.
61 RADIATION PROTECTION AND DOSIMETRY↗
ISAIA: Interoperable Systems for Archival Information Access
The ISAIA project was originally proposed in 1999 as a successor to the informal AstroBrowse project. AstroBrowse, which provided a data location service for astronomical archives and catalogs, was a first step toward data system integration and interoperability. The goals of ISAIA were ambitious: '...To develop an interdisciplinary data location and integration service for space science. Building upon existing data services and communications protocols, this service will allow users to transparently query hundreds or thousands of WWW-based resources (catalogs, data, computational resources, bibliographic references, etc.) from a single interface. The service will collect responses from various resources and integrate them in a seamless fashion for display and manipulation by the user.' Funding was approved only for a one-year pilot study, a decision that in retrospect was wise given the rapid changes in information technology in the past few years and the emergence of the Virtual Observatory initiatives in the US and worldwide. Indeed, the ISAIA pilot study was influential in shaping the science goals, system design, metadata standards, and technology choices for the virtual observatory. The ISAIA pilot project also helped to cement working relationships among the NASA data centers, US ground-based observatories, and international data centers. The ISAIA project was formed as a collaborative effort between thirteen institutions that provided data to astronomers, space physicists, and planetary scientists. Among the fruits we ultimately hoped would come from this project would be a central site on the Web that any space scientist could use to efficiently locate existing data relevant to a particular scientific question. Furthermore, we hoped that the needed technology would be general enough to allow smaller, more-focused community within space science could use the same technologies and standards to provide more specialized services. A major challenge to searching for data across a broad community is that information that describe some data products are either not relevant to other data or not applicable in the same way. Some previous metadata standard development efforts (e.g., in the earth science and library communities) have produced standards that are very large and difficult to support. To address this problem, we studied how a standard may be divided into separable pieces. Data providers that wish to participate in interoperable searches can support only those parts of the standard that are relevant to them. We prototyped a top-level metadata standard that was small and applicable to all space science data.
Hanisch, Robert J.↗
Position Papers for the ASCR Workshop on the Management and Storage of Scientific Data
The purpose of this workshop is to identify priority research directions in the area of data management for high-performance and scientific computing above and beyond HPC’s traditional "the parallel file system is the data-management system" model. Supporting the breadth of the DOE mission, including the explosion of AI uses and the growing needs of experimental and observational science, motivates revisiting our assumptions about data management. There are many facets of this topic to explore including: (1) Interfaces for accessing data that resides on traditional persistent storage as well as memory devices; (2) Storage-system architecture design that supports scientific workflows on varied hierarchical storage and networking devices; (3) Devising metadata management infrastructure to support FAIR principles (Findability, Accessibility, Interoperability, and Reusability); (4) Capturing provenance information about scientific data; (5) Utilizing AI to learn I/O patterns of emerging workloads for efficient data management; (6) Providing data management support for AI and complex workflows; and (7) Understanding the overlap between traditional storage systems and I/O (SSIO) efforts and data management. While the program committee has identified these topics as important areas for discussion, we welcome position papers from the community that propose additional topics of interest for discussion at the workshop. The workshop agenda will include breakout sessions for discussing these and selected topic areas to inform priority research directions for data management for high-performance and scientific computing.
97 MATHEMATICS AND COMPUTING↗