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At least 1,099 records · Page 61

High Performance Computing Facility Operational Assessment 2015: Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory’s (ORNL’s) Leadership Computing Facility (OLCF) continues to surpass its operational target goals: supporting users; delivering fast, reliable systems; creating innovative solutions for high-performance computing (HPC) needs; and managing risks, safety, and security aspects associated with operating one of the most powerful computers in the world. The results can be seen in the cutting-edge science delivered by users and the praise from the research community. Calendar year (CY) 2015 was filled with outstanding operational results and accomplishments: a very high rating from users on overall satisfaction that ties the highest-ever mark set in CY 2014; the greatest number of core-hours delivered to research projects; the largest percentage of capability usage since the OLCF began tracking the metric in 2009; and success in delivering on the allocation of 60, 30, and 10% of core hours offered for the INCITE (Innovative and Novel Computational Impact on Theory and Experiment), ALCC (Advanced Scientific Computing Research Leadership Computing Challenge), and Director’s Discretionary programs, respectively. These accomplishments, coupled with the extremely high utilization rate, represent the fulfillment of the promise of Titan: maximum use by maximum-size simulations. The impact of all of these successes and more is reflected in the accomplishments of OLCF users, with publications this year in notable journals Nature, Nature Materials, Nature Chemistry, Nature Physics, Nature Climate Change, ACS Nano, Journal of the American Chemical Society, and Physical Review Letters, as well as many others. The achievements included in the 2015 OLCF Operational Assessment Report reflect first-ever or largest simulations in their communities; for example Titan enabled engineers in Los Angeles and the surrounding region to design and begin building improved critical infrastructure by enabling the highest-resolution Cybershake map for Southern California to date. The Titan system provides the largest extant heterogeneous architecture for computing and computational science. Usage is high, delivering on the promise of a system well-suited for capability simulations for science. This success is due in part to innovations in tracking and reporting the activity on the compute nodes, and using this information to further enable and optimize applications, extending and balancing workload across the entire node. The OLCF continues to invest in innovative processes, tools, and resources necessary to meet continuing user demand. The facility’s leadership in data analysis and workflows was featured at the Department of Energy (DOE) booth at SC15, for the second year in a row, highlighting work with researchers from the National Library of Medicine coupled with unique computational and data resources serving experimental and observational data across facilities. Effective operations of the OLCF play a key role in the scientific missions and accomplishments of its users. Building on the exemplary year of 2014, as shown by the 2014 Operational Assessment Report (OAR) review committee response in Appendix A, this OAR delineates the policies, procedures, and innovations implemented by the OLCF to continue delivering a multi-petaflop resource for cutting-edge research. This report covers CY 2015, which, unless otherwise specified, denotes January 1, 2015, through December 31, 2015.

97 MATHEMATICS AND COMPUTING↗

Dynamic states of swimming bacteria in a nematic liquid crystal cell with homeotropic alignment

Flagellated bacteria such as Escherichia coli and Bacillus subtilis exhibit effective mechanisms for swimming in fluids and exploring the surrounding environment. In isotropic fluids such as water, the bacteria change swimming direction through the run-and-tumble process. Lyotropic chromonic liquid crystals (LCLCs) have been introduced recently as an anisotropic environment in which the direction of preferred orientation, the director, guides the bacterial trajectories. In this work, we describe the behavior of bacteria B. subtilis in a homeotropic LCLC geometry, in which the director is perpendicular to the bounding plates of a shallow cell. We demonstrate that the bacteria are capable of overcoming the stabilizing elastic forces of the LCLC and swim perpendicularly to the imposed director (and parallel to the bounding plates). The effect is explained by a finite surface anchoring of the director at the bacterial body; the role of surface anchoring is analyzed by numerical simulations of a rod realigning in an otherwise uniform director field. Shear flows produced by a swimming bacterium cause director distortions around its body, as evidenced both by experiments and numerical simulations. These distortions contribute to a repulsive force that keeps the swimming bacterium at a distance of a few micrometers away from the bounding plates. The homeotropic alignment of the director imposes two different scenarios of bacterial tumbling: one with an 180° reversal of the horizontal velocity and the other with the realignment of the bacterium by two consecutive 90° turns. Finally, in the second case, the angle between the bacterial body and the imposed director changes from 90° to 0° and then back to 90°; the new direction of swimming does not correlate with the previous swimming direction.

59 BASIC BIOLOGICAL SCIENCES↗

The Turn-on of LCLS: the X-Ray Free Electron Laser at SLAC ( Keynote - 2011 JGI User Meeting)

The U.S. Department of Energy Joint Genome Institute (JGI) invited scientists interested in the application of genomics to bioenergy and environmental issues, as well as all current and prospective users and collaborators, to attend the annual DOE JGI Genomics of Energy & Environment Meeting held March 22-24, 2011 in Walnut Creek, Calif. The emphasis of this meeting was on the genomics of renewable energy strategies, carbon cycling, environmental gene discovery, and engineering of fuel-producing organisms. The meeting features presentations by leading scientists advancing these topics. SLAC National Laboratory Director Persis Drell gives a keynote talk on "The Turn-on of LCLS: the X-Ray Free-Electron Laser at SLAC" at the 6th Genomics of Energy & Environment Meeting on March 22, 2011

59 BASIC BIOLOGICAL SCIENCES↗

Omar Yaghi on Chemistry and Metal Organic Frameworks

In this edited version of the hour long talk, Omar Yaghi, director of the Molecular Foundry, sat down in conversation with Jeff Miller, head of Public Affairs, on July 11th, 2012 to discuss his fascination with the hidden world of chemistry and his work on Metal Organic Frameworks.

36 MATERIALS SCIENCE↗

Physical Sciences Vistas Issue 3 2021

In this issue, highlights of our contributions to mission operations include descriptions of the following. • How exact and scrupulous planning in concert with sophisticated science enabled a first-ever direct measurement of a radionuclide with a half-life as short as six days. The work, which included operations at the Los Alamos Neutron Science Centers (LANSCE) Weapons Neutron Research Facility and the Isotope Production Facility’s hot cell facility, is a boon for both astrophysics and weapons science. • An introduction to Christie Davis and her role in ensuring the Lab’s execution of simultaneous excellence. • A look at progress by AOT’s Target and Experimental Support Team in reclaiming long-dormant space in a radiological controlled area for new work improving target systems for the Lujan Center. • A story showcasing a cross-organizational effort to minimize the directorate’s legacy and environmental footprint. Staff from across the Lab joined together to ensure the safe and efficient disposal of Rocky Flats legacy waste stored in a transportainer at the Target Fabrication Facility. • How the Lab’s Utilities and Infrastructure experts collaborated with stakeholders in our directorate to safety execute preventive maintenance on the LANSCE mesa’s large electrical substation. The Safe Conduct of Research principles provided a common framework for the planning and process. • A description of the resources called upon and the procedures undertaken by MPA to inventory the division’s time-sensitive chemicals, including the careful and conscientious response of an alert team member when something seemed amiss.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Space Solar Power Exploratory Research and Technology (SERT) Technical Interchange Meeting 2 (SERT TIM 2)

The University of Alabama in Huntsville's (UAH) Propulsion Research Center hosted the Space Solar Power Exploratory Research & Technology (SERT) Technical Interchange Meeting TIM) 2 in Huntsville, Alabama December 7-10. 1999 with 126 people in attendance. The SERT program includes both competitively procured activities. which are being implemented through a portfolio of focused R&D investments--with the maximum leveraging of existing resources inside and outside NASA. and guided by these system studies. Axel Roth. Director of the Flight Projects Directorate NASA MSFC, welcomed the SERT TIM 2 participants and challenged them to develop the necessary technologies and demonstrations that will lead to Space Solar Power (SSP) International implementation. Joe Howell, NASA MSFC, reiterated the SERT TIM 2 objectives: 1) Refining and modeling systems approaches for the utilization of SSP concepts and technologies, ranging, from the near-term e.g. for space science, exploration and commercial space applications to the far-term (e. g. SSP for terrestrial markets), including systems concepts, technology, infrastructure (i.g., transportation), and economics. 2) Conducting technology research, development and demonstration activities to produce "proof- of-concept" validation of critical SSP elements for both the nearer and farther-term applications. 3) Initiating partnerships Nationality and Internationally that could be expanded, as appropriate, to pursue later SSP technology and applications (e.g., space science. colonization, etc.). Day one began with the NASA Centers presenting their SERT activities summary since SERT TIM 1 and wound up with a presentation by Masahiro Mori, NASDA titled "NASDA In-house Study for SSP". Demonstration for the Near-Term. Day two began with the SERT Systems Studies and Analysis reports resulting from NRA 8-23 followed by presentations of SERT Technology Demonstrations reports resulting from NRA 8-23. Day two closed with John Mankins presentation on "Technology Roadmapping" and the delivery of the charge to the Work Breakout Sessions. Day three began with the eleven Work Breakout Session which was the major function of this TIM 2 and day three ended with reports by the Chairs of the eleven Work Breakdown Sessions. Day four began with the six Integrated Product Team OPT) meetings and ended with closing plenary panel sessions.

Howell, Joe↗

Electrostatically controlled surface boundary conditions in nematic liquid crystals and colloids

Differing from isotropic fluids, liquid crystals exhibit highly anisotropic interactions with surfaces, which define boundary conditions for the alignment of constituent rod-like molecules at interfaces with colloidal inclusions and confining substrates. We show that surface alignment of the nematic molecules can be controlled by harnessing the competing aligning effects of surface functionalization and electric field arising from surface charging and bulk counterions. The control of ionic content in the bulk and at surfaces allows for tuning orientations of shape-anisotropic particles like platelets within an aligned nematic host and for changing the orientation of director relative to confining substrates. The ensuing anisotropic elastic and electrostatic interactions enable colloidal crystals with reconfigurable symmetries and orientations of inclusions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Critical Materials Institute

Ames Laboratory Director Alex King talks about the goals of the Critical Materials Institute in diversifying the supply of critical materials, developing substitute materials, developing tools and techniques for recycling critical materials, and forecasting materials needs to avoid future shortages.

36 MATERIALS SCIENCE↗

Research and Technology at the John F. Kennedy Space Center 1993

As the NASA Center responsible for assembly, checkout, servicing, launch, recovery, and operational support of Space Transportation System elements and payloads, the John F. Kennedy Space Center is placing increasing emphasis on its advanced technology development program. This program encompasses the efforts of the Engineering Development Directorate laboratories, most of the KSC operations contractors, academia, and selected commercial industries - all working in a team effort within their own areas of expertise. This edition of the Kennedy Space Center Research and Technology 1993 Annual Report covers efforts of all these contributors to the KSC advanced technology development program, as well as our technology transfer activities. Major areas of research include material science, advanced software, industrial engineering, nondestructive evaluation, life sciences, atmospheric sciences, environmental technology, robotics, and electronics and instrumentation.

Source record↗

Charter for the ARM Atmospheric Modeling Advisory Group

The Atmospheric Modeling Advisory Group of the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility is guided by the following: 1. The group will provide feedback on the overall project plan including input on how to address priorities and trade-offs in the modeling and analysis workflow, making sure the modeling follows general best practices, and reviewing the recommendations provided to ARM for the workflow implementation. 2. The group will consist of approximately 6 members plus the PI and co-PI of the Large-Eddy Simulation (LES) ARM Symbiotic Simulation and Observation (LASSO) pilot project. The ARM Technical Director, or his designee, serves as an ex-officio member. This size is chosen based on the ability to efficiently conduct teleconferences and to span the general needs for input to the LASSO pilot project.

54 ENVIRONMENTAL SCIENCES↗

TBCC Discipline Overview. Hypersonics Project

The "National Aeronautics Research and Development Policy" document, issued by the National Science and Technology Council in December 2006, stated that one (among several) of the guiding objectives of the federal aeronautics research and development endeavors shall be stable and long-term foundational research efforts. Nearly concurrently, the National Academies issued a more technically focused aeronautics blueprint, entitled: the "Decadal Survey of Civil Aeronautics - Foundations for the Future." Taken together these documents outline the principles of an aeronautics maturation plan. Thus, in response to these overarching inputs (and others), the National Aeronautics and Space Administration (NASA) organized the Fundamental Aeronautics Program (FAP), a program within the NASA Aeronautics Research Mission Directorate (ARMD). The FAP initiated foundational research and technology development tasks to enable the capability of future vehicles that operate across a broad range of Mach numbers, inclusive of the subsonic, supersonic, and hypersonic flight regimes. The FAP Hypersonics Project concentrates on two hypersonic missions: (1) Air-breathing Access to Space (AAS) and (2) the (Planetary Atmospheric) Entry, Decent, and Landing (EDL). The AAS mission focuses on Two-Stage-To-Orbit (TSTO) systems using air-breathing combined-cycle-engine propulsion; whereas, the EDL mission focuses on the challenges associated with delivering large payloads to (and from) Mars. So, the FAP Hypersonic Project investments are aligned to achieve mastery and intellectual stewardship of the core competencies in the hypersonic-flight regime, which ultimately will be required for practical systems with highly integrated aerodynamic/vehicle and propulsion/engine technologies. Within the FAP Hypersonics, the technology management is further divided into disciplines including one targeting Turbine-Based Combine-Cycle (TBCC) propulsion. Additionally, to obtain expertise and support from outside (including industry and academia) the hypersonic uses both NASA Research Announcements (NRAs) and a jointly sponsored, Air Force Office of Scientific Research and NASA, National Hypersonic Science Center that are focused on propulsion research. Finally, these two disciplines use selected external partnership agreements with both governmental agencies and industrial entities. The TBCC discipline is comprised of analytic and experimental tasks, and is structured into the following two research topic areas: (1) TBCC Integrated Flowpath Technologies, and (2) TBCC Component Technologies. These tasks will provide experimental data to support design and analysis tool development and validation that will enable advances in TBCC technology.

Thomas, Scott R.↗

Life Sciences Implications of Lunar Surface Operations

The purpose of this report is to document preliminary, predicted, life sciences implications of expected operational concepts for lunar surface extravehicular activity (EVA). Algorithms developed through simulation and testing in lunar analog environments were used to predict crew metabolic rates and ground reaction forces experienced during lunar EVA. Subsequently, the total metabolic energy consumption, the daily bone load stimulus, total oxygen needed, and other variables were calculated and provided to Human Research Program and Exploration Systems Mission Directorate stakeholders. To provide context to the modeling, the report includes an overview of some scenarios that have been considered. Concise descriptions of the analog testing and development of the algorithms are also provided. This document may be updated to remain current with evolving lunar or other planetary surface operations, assumptions and concepts, and to provide additional data and analyses collected during the ongoing analog research program.

Chappell, Steven P.↗

Surface‐Enforced Alignment of Reprogrammable Liquid Crystalline Elastomers

Abstract Liquid crystalline elastomers (LCEs) are stimuli‐responsive materials capable of undergoing large deformations. The thermomechanical response of LCEs is attributable to the coupling of polymer network properties and disruption of order between liquid crystalline mesogens. Complex deformations have been realized in LCEs by either programming the nematic director via surface‐enforced alignment or localized mechanical deformation in materials incorporating dynamic covalent chemistries. Here, the preparation of LCEs via thiol‐Michael addition reaction is reported that are amenable to surface‐enforced alignment. Afforded by the thiol‐Michael addition reaction, dynamic covalent bonds are uniquely incorporated in chemistries subject to surface‐enforce alignment. Accordingly, LCEs prepared with complex director profiles are able to be programmed and reprogrammed by (re)activating the dynamic covalent chemistry to realize distinctive shape transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

2012 Los Alamos National Laboratory Hazardous Waste Minimization Report

Waste minimization and pollution prevention are inherent goals within all the operating procedures of Los Alamos National Security, LLC (LANS). The US Department of Energy (DOE) and LANS are required to submit an annual hazardous waste minimization report to the New Mexico Environment Department (NMED) in accordance with the Los Alamos National Laboratory (LANL or the Laboratory) Hazardous Waste Facility Permit. The report was prepared pursuant to the requirements of Section 2.9 of the LANL Hazardous Waste Facility Permit, which was issued in November 2010. This report describes the hazardous waste minimization program (a component of the overall Waste Minimization/Pollution Prevention [WMin/PP] Program) administered by the Environmental Stewardship Group (ENV-ES). This report also supports the waste minimization and pollution prevention goals of the Environmental Programs Directorate (EP) organizations that are responsible for implementing remediation activities and describes its programs to incorporate waste reduction practices into remediation activities and procedures.

54 ENVIRONMENTAL SCIENCES↗

Space-based Networking Technology Developments in the Interplanetary Network Directorate Information Technology Program

Described recent development of communications protocols, services, and associated tools targeted to reduce risk, reduce cost and increase efficiency of IND infrastructure and supported mission operations. Space-based networking technologies developed were: a) Provide differentiated quality of service (QoS) that will give precedence to traffic that users have selected as having the greatest importance and/or time-criticality; b) Improve the total value of information to users through the use of QoS prioritization techniques; c) Increase operational flexibility and improve command-response turnaround; d) Enable new class of networked and collaborative science missions; e) Simplify applications interfaces to communications services; and f) Reduce risk and cost from a common object model and automated scheduling and communications protocols. Technologies are described in three general areas: communications scheduling, middleware, and protocols. Additionally developed simulation environment, which provides comprehensive, quantitative understanding of the technologies performance within overall, evolving architecture, as well as ability to refine & optimize specific components.

scheduling↗

Rediscovered photographs of J. Robert Oppenheimer’s 1964 visit to LANL

National Security Research Center staff recently rediscovered a trove of images of J. Robert Oppenheimer’s last known visit to the Laboratory, tucked away among the NSRC’s collections of millions of classified and unclassified photographs and not seen for over thirty years. Oppenheimer, who served as our first Director from 1943–1945, led the United States’ successful wartime effort to develop the world’s first atomic weapons in just 27 months. He left the Lab shortly after World War II ended, but came back in May of 1964 to deliver a lecture about Niels Bohr at the Civic Auditorium (now Duane Smith Auditorium) and visit the Los Alamos Scientific Laboratory Museum (which would become the Bradbury Science Museum), as is captured in these photos.

99 GENERAL AND MISCELLANEOUS↗