Target highlights in CASP14: Analysis of models by structure providers
Explore the source record for details and available documents.
Alexander, Leila T.↗
SEARCH · Engineering Papers
Results for “Time History”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Optimized Gating System for Steel Castings
Computer modeling using a commercially available software package was used to explore the optimization of filling systems based on the relatively new concepts of avoiding entrainment of air bubbles and oxides by avoiding surface turbulence. The test casting was based on a pattern for a traditional top poured test bar, whose cross section was a tri-lobed clover-like shape. The study illustrates clearly that the detailed design of the filling system has a major influence on the conditions for defect generation during filling. Traditional steel casting systems using the widely popular assembly of preformed refractory tubes were found to behave poorly. Systems were demonstrated which were capable of delivering highly controlled filling behavior. The latest systems to be developed employed (1) a naturally pressurized filling system and (2) the use of filters placed flush on the top of the runner to act as bubble diverters, together with (3) terminal spin traps. These novel filling systems demonstrated excellent performance in simulation, in agreement with practical experience of the capability (of the trident gate in particular) to produce, for the first time in the history of casting, defect-free castings on a routine basis.
36 MATERIALS SCIENCE↗
A chemical pathway perspective on the kinetics of low-temperature ignition of propane
In this work, the chemistry of low-temperature ignition in propane/air mixtures is analyzed using a recently developed pathway representation of the chemical kinetics. The "Sum Over Histories Representation" allows time dependent kinetic observables to be computed using an expansion over global chemical pathways that follow chemical moieties as they move through a complex reaction network. This methodology assigns probabilities to complete chemical pathways through which specific intermediate or product species are generated. The growth of the radical pool during the ignition process is analyzed by enumerating chemical pathways that constitute catalytic cycles, in particular the catalyzed production of the highly reactive OH-radical. In addition to the well-known reaction route followed in low-temperature ignition of hydrocarbons which involves the QOOH and keto-hydroperoxide species, we have explicitly identified several other cycles that are responsible for most of the remaining OH-production.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A Ghost Fluid/Level Set Method for boiling flows and liquid evaporation: Application to the Leidenfrost effect
The development of numerical methods for the direct numerical simulation of two-phase flows with phase change, in the framework of interface capturing or interface tracking methods, is the main topic of this study. We propose a novel numerical method, which allows dealing with both evaporation and boiling at the interface between a liquid and a gas. Indeed, in some specific situations involving very heterogeneous thermodynamic conditions at the interface, the distinction between boiling and evaporation is not always possible. For instance, it can occur for a Leidenfrost droplet; a water drop levitating above a hot plate whose temperature is much higher than the boiling temperature. In this case, boiling occurs in the film of saturated vapor which is entrapped between the bottom of the drop and the plate, whereas the top of the water droplet evaporates in contact of ambient air. The situation can also be ambiguous for a superheated droplet or at the contact line between a liquid and a hot wall whose temperature is higher than the saturation temperature of the liquid. In these situations, the interface temperature can locally reach the saturation temperature (boiling point), for instance near a contact line, and be cooler in other places. Thus, boiling and evaporation can occur simultaneously on different regions of the same liquid interface or occur successively at different times of the history of an evaporating droplet. Standard numerical methods are not able to perform computations in these transient regimes, therefore, we propose in this paper a novel numerical method to achieve this challenging task. Finally, we present several accuracy validations against theoretical solutions and experimental results to strengthen the relevance of this new method.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
The early growth of the first black holes
With detections of quasars powered by increasingly massive black holes at increasingly early times in cosmic history over the past decade, there has been correspondingly rapid progress made on the theory of early black hole formation and growth. Here, we review the emerging picture of how the first massive black holes formed from the primordial gas and then grew to supermassive scales. We discuss the initial conditions for the formation of the progenitors of these seed black holes, the factors dictating the initial masses with which they form, and their initial stages of growth via accretion, which may occur at super-Eddington rates. Lastly, we briefly discuss how these results connect to large-scale simulations of the growth of supermassive black holes in the first billion years after the Big Bang.
79 ASTRONOMY AND ASTROPHYSICS↗
Microstructural Developments Leading to New Advanced High Strength Sheet Steels: A Historical Assessment of Critical Metallographic Observations
In the past 30+ years significant advancements have been made in the development of higher strength sheet steels with improved combinations of strength and ductility that have enabled important product improvements leading to safer, lighter weight, and more fuel efficient automobiles and in other applications. Properties of the primarily low carbon, low alloy steels are derived through careful control of time-temperature processing histories designed to produce multiphase ferritic based microstructures that include martensite and other constituents including retained austenite. The basis for these developments stems from the early work on dual-phase steels which was the subject of much interest. In response to industry needs, dual-phase steels have evolved as a unique class of advanced high strength sheet steels (AHSS) in which the thermal and mechanical processing histories have been specifically designed to produce constituent combinations for the purpose of simultaneously controlling strength and deformation behavior, i.e. stress-strain curve shapes. Improvements continue as enhanced dual-phase steels have recently been produced with finer microstructures, higher strengths, and better overall formability. Today, dual phase steels are the primary AHSS products used in vehicle manufacture, and several companies have indicated that the steels will remain as important design materials well into the future. In this presentation, fundamental results from the early work on dual-phase steels will be reviewed and assessed in light of recent steel developments. Specific contributions from industry/university cooperative research leading to product improvements will be highlighted. The historical perspective provided in the evolution of dual-phase steels represents a case-study that provides important framework and lessons to be incorporated in next generation AHSS products.
36 MATERIALS SCIENCE↗
Early aqueous activity on the ordinary and carbonaceous chondrite parent bodies recorded by fayalite
Here, chronology of aqueous activity on chondrite parent bodies constrains their accretion times and thermal histories. Radiometric 53 Mn– 53 Cr dating has been successfully applied to aqueously formed carbonates in CM carbonaceous chondrites. Owing to the absence of carbonates in ordinary (H, L and LL), and CV and CO carbonaceous chondrites, and the lack of proper standards, there are no reliable ages of aqueous activity on their parent bodies. Here we report the first 53 Mn– 53 Cr ages of aqueously formed fayalite in the L3 chondrite Elephant Moraine 90161 as 2.4 +1.8 -1.3 Myr after calcium–aluminium-rich inclusions (CAIs), the oldest Solar System solids. In addition, measurements using our synthesized fayalite standard show that fayalite in the CV3 chondrite Asuka 881317 and CO3-like chondrite MacAlpine Hills 88107 formed and 4.2 +0.8 -0.7 Myr after CAIs, respectively. Thermal modelling, combined with the inferred conditions (temperature and water/rock ratio) and 53 Mn– 53 Cr ages of aqueous alteration, suggests accretion of the L, CV and CO parent bodies ~1.8–2.5 Myr after CAIs.
79 ASTRONOMY AND ASTROPHYSICS↗
Genomic insights into the origin, domestication and diversification of Brassica juncea
Despite early domestication around 3000 BC, the evolutionary history of the ancient allotetraploid species Brassica juncea (L.) Czern & Coss remains uncertain. Here, we report a chromosome-scale de novo assembly of a yellow-seeded B. juncea genome by integrating long-read and short-read sequencing, optical mapping and Hi-C technologies. Nuclear and organelle phylogenies of 480 accessions worldwide supported that B. juncea is most likely a single origin in West Asia, 8,000–14,000 years ago, via natural interspecific hybridization. Subsequently, new crop types evolved through spontaneous gene mutations and introgressions along three independent routes of eastward expansion. Selective sweeps, genome-wide trait associations and tissue-specific RNA-sequencing analysis shed light on the domestication history of flowering time and seed weight, and on human selection for morphological diversification in this versatile species. Our data provide a comprehensive insight into the origin and domestication and a foundation for genomics-based breeding of B. juncea.
59 BASIC BIOLOGICAL SCIENCES↗
Offsite Data Processing for the GlueX Experiment
The Thomas Jefferson National Accelerator Facility (JLab) 12GeV accelerator upgrade completed in 2015 is now producing data at volumes unprecedented for the lab. The resources required to process this data now exceed the capacity of the onsite farm necessitating the use of offsite computing resources for the first time in the history of JLab. GlueX is now utilizing NERSC and PSC for raw data production. Details of the workflow are presented.
Lawrence, David↗
Ultra-high speed photomultiplier tubes with nanosecond gating for fusion diagnostics
Fusion diagnostics can involve the measurement of ultra-fast optical pulses, often in close temporal proximity. We present a solution for the diagnostics of gamma reaction history and neutron time of flight by using microchannel plate based photomultiplier tubes (PMTs). The time response of the PMTs can be as fast as 100 ps FWHM and with a gain of up to 10{sup 7}. To observe small events in close temporal proximity to much larger signals such as the down-scattered fraction, the response of MCP-PMTs can be gated with an on/off ratio of up to 10{sup 13} in just 2 ns.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Studies on the new fuels with Santilli magnecular structure and their industrial applications
Professor R. M. Santilli, the Italian-American physicist, for the first time in the history of Science, presented the theoretical and experimental evidence on the existence of the new chemical species of “magnecules” [1]. This new species mainly consist of individual atoms, radicals and conventional molecules bonded together with stable clusters under the new attractive force primarily originating from torroidal polarization of orbitals of atomic electrons under strong magnetic field. The main contribution in this area was the production of Magnegas{sup TM}, new clean fuels developed by Prof. Santilli, which are produced as byproducts of recycling nonradioactive liquid feedstock such as antifreeze waste, engine oil waste, town sewage, crude oil, etc., and generally vary with the liquid used for their production. A new technology, called Plasma Arc FlowTM, flows the waste through a submerged electric arc between conventional electrodes. The arc decomposes the liquid molecules into their atomic constituents, and forms a plasma in the immediate vicinity of the electrodes at about 10,000{sup 0} F. The technology then moves the plasma away from the electrodes, and controls its recombination into environmentally acceptable fuels. In fact, the exhaust of magnegases shows: absence of carcinogenic or other toxic substances; breathable oxygen up 14 percent; and carbon dioxide down to 0.01 percent. Since, in addition, the new fuels can be produced everywhere, and have environmentally acceptable exhausts, Magnegases offer promising possibilities to satisfy our ever increasing energy needs, as well as to contain the alarming environmental problems caused by fossil fuels. Thus, it was thought worthwhile to present some of the industrial applications of environmentally benign fuel consisting magnecular bonds [2, 3, 4, 5]. Also in the present communications, some of the experimental evidences of Santilli’s new chemical species i. e. Magnecules which had been published recently have been summarized [6, 7, 8].
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
CHEMICAL EVOLUTION OF THE LARGE MAGELLANIC CLOUD
We adopt a new chemical evolution model for the Large Magellanic Cloud (LMC) and thereby investigate its past star formation and chemical enrichment histories. The delay time distribution of Type Ia supernovae recently revealed by Type Ia supernova surveys is incorporated self-consistently into the new model. The principle results are summarized as follows. The present gas mass fraction and stellar metallicity as well as the higher [Ba/Fe] in metal-poor stars at [Fe/H] < -1.5 can be more self-consistently explained by models with steeper initial mass functions. The observed higher [Mg/Fe] ({>=}0.3) at [Fe/H] {approx} -0.6 and higher [Ba/Fe] (>0.5) at [Fe/H] {approx} -0.3 could be due to significantly enhanced star formation about 2 Gyr ago. The observed overall [Ca/Fe]-[Fe/H] relation and remarkably low [Ca/Fe] (< - 0.2) at [Fe/H] > -0.6 are consistent with models with short-delay supernova Ia and with the more efficient loss of Ca possibly caused by an explosion mechanism of Type II supernovae. Although the metallicity distribution functions do not show double peaks in the models with a starburst about 2 Gyr ago, they show characteristic double peaks in the models with double starbursts {approx}200 Myr and {approx}2 Gyr ago. The observed apparent dip of [Fe/H] around {approx}1.5 Gyr ago in the age-metallicity relation can be reproduced by models in which a large amount ({approx}10{sup 9} M{sub Sun }) of metal-poor ([Fe/H] < -1) gas can be accreted onto the LMC.
79 ASTRONOMY AND ASTROPHYSICS↗
THE SPACE MOTION OF LEO I: THE MASS OF THE MILKY WAY'S DARK MATTER HALO
We combine our Hubble Space Telescope measurement of the proper motion of the Leo I dwarf spheroidal galaxy (presented in a companion paper) with the highest resolution numerical simulations of Galaxy-size dark matter halos in existence to constrain the mass of the Milky Way's dark matter halo (M{sub vir,MW}). Despite Leo I's large Galactocentric space velocity (200 km s{sup -1}) and distance (261 kpc), we show that it is extremely unlikely to be unbound if Galactic satellites are associated with dark matter substructure, as 99.9% of subhalos in the simulations are bound to their host. The observed position and velocity of Leo I strongly disfavor a low-mass Milky Way: if we assume that Leo I is the least bound of the Milky Way's classical satellites, then we find that M{sub vir,MW} > 10{sup 12} M{sub Sun} at 95% confidence for a variety of Bayesian priors on M{sub vir,MW}. In lower mass halos, it is vanishingly rare to find subhalos at 261 kpc moving as fast as Leo I. Should an additional classical satellite be found to be less bound than Leo I, this lower limit on M{sub vir,MW} would increase by 30%. Imposing a mass-weighted {Lambda}CDM prior, we find a median Milky Way virial mass of M{sub vir,MW} = 1.6 Multiplication-Sign 10{sup 12} M{sub Sun }, with a 90% confidence interval of [1.0-2.4] Multiplication-Sign 10{sup 12} M{sub Sun }. We also confirm a strong correlation between subhalo infall time and orbital energy in the simulations and show that proper motions can aid significantly in interpreting the infall times and orbital histories of satellites.
79 ASTRONOMY AND ASTROPHYSICS↗
Dark matter relic density in scalar-tensor gravity revisited
We revisit the calculation of dark matter relic abundances in scalar-tensor gravity using a generic form A(φ{sub *}) = e{sup βφ{sub *}{sup 2/2}} for the coupling between the scalar field φ{sub *} and the metric, for which detailed Big Bang Nucleosynthesis constraints are available. We find that BBN constraints restrict the modified expansion rate in these models to be almost degenerate with the standard expansion history at the time of dark matter decoupling. In this case the maximum level of enhancement of the dark matter relic density was found to be a factor of ∼ 3, several orders of magnitude below that found in previous investigations.
79 ASTRONOMY AND ASTROPHYSICS↗
MULTIFRACTAL STRUCTURES DETECTED BY VOYAGER 1 AT THE HELIOSPHERIC BOUNDARIES
To better understand the dynamics of turbulent systems, we have proposed a phenomenological model based on a generalized Cantor set with two rescaling and one weight parameters. In this Letter, using recent Voyager 1 magnetic field data, we extend our two-scale multifractal analysis further in the heliosheath beyond the heliospheric termination shock, and even now near the heliopause, when entering the interstellar medium for the first time in human history. We have identified the scaling inertial region for magnetized heliospheric plasma between the termination shock and the heliopause. We also show that the degree of multifractality decreases with the heliocentric distance and is still modulated by the phases of the solar cycle in the entire heliosphere including the heliosheath. Moreover, we observe the change of scaling toward a nonintermittent (nonmultifractal) behavior in the nearby interstellar medium, just beyond the heliopause. We argue that this loss of multifractal behavior could be a signature of the expected crossing of the heliopause by Voyager 2 in the near future. The results obtained demonstrate that our phenomenological multifractal model exhibits some properties of intermittent turbulence in the solar system plasmas, and we hope that it could shed light on universal characteristics of turbulence.
79 ASTRONOMY AND ASTROPHYSICS↗
PyJMAK: An Open-Source Python Toolkit for Modeling Solid-State Metallurgical Phase Transformations
Accurate prediction of metallurgical phase transformations is an essential basis for autonomous optimization and rapid part qualification. Several methods can be used to estimate the evolution of phase fractions such as JMAK kinetics-based models, phase-field models, thermodynamic models, and data-driven machine learning models. Thermodynamic and phase-field-based methodologies solve multiphysics equations requiring numerous calibration parameters and significant computational resources. As a result, the computation domain is limited to a point or on order of micron-meters. The data-driven models rely on large datasets from experiments and simulations. While the JMAK model only provides information about phase fraction evolution, it can predict this evolution in near real-time using thermal history and thermodynamic data without restriction on the domain. JMAK models have been popularly used by researchers to model phase transformations occuring during additive manufacturing or over arbitrary temperature profiles. Commercial proprietary software such as Abaqus and Ansys or closed-source in-house implementations offer the ability to model JMAK based kinetics to predict phase transformation. However, these software packages are not open-source or freely available for use and development in conjunction with manufacturing machines, sensors, and machine learning algorithms. In addition, the use of the model is restricted by a license token. In contrast, given temperature profiles at multiple points in the domain, this Python-based PyJMAK model can compute phase evolution in parallel due to its stand-alone modular, voxel-based structure, and it can be executed on high-performance computing resources without any license restrictions.
Prabhune, Bhagya [Oak Ridge National Laboratory (O↗
WTEC Panel Report on International Assessment of Research and Development in Simulation-Based Engineering and Science
This WTEC panel report assesses the international research and development activities in the field of Simulation- Based Engineering and Science (SBE&S). SBE&S involves the use of computer modeling and simulation to solve mathematical formulations of physical models of engineered and natural systems. SBE&S today has reached a level of predictive capability that it now firmly complements the traditional pillars of theory and experimentation/observation. As a result, computer simulation is more pervasive today – and having more impact – than at any other time in human history. Many critical technologies, including those to develop new energy sources and to shift the cost-benefit factors in healthcare, are on the horizon that cannot be understood, developed, or utilized without simulation. A panel of experts reviewed and assessed the state of the art in SBE&S as well as levels of activity overseas in the broad thematic areas of life sciences and medicine, materials, and energy and sustainability; and in the crosscutting issues of next generation hardware and algorithms; software development; engineering simulations; validation, verification, and uncertainty quantification; multiscale modeling and simulation; and SBE&S education. The panel hosted a U.S. baseline workshop, conducted a bibliometric analysis, consulted numerous experts and reports, and visited 59 institutions and companies throughout East Asia and Western Europe to explore the active research projects in those institutions, the computational infrastructure used for the projects, the funding schemes that enable the research, the collaborative interactions among universities, national laboratories, and corporate research centers, and workforce needs and development for SBE&S.
97 MATHEMATICS AND COMPUTING↗
Preparations for p-Au run in 2015
The p-Au particle collision is a unique category of collision runs. This is resulted from the different charge mass ratio of the proton and fully stripped Au ion (1 vs.79/197). The p-Au run requires a special acceleration ramp, and movement of a number of beam components as required by the beam trajectories. The DX magnets will be moved for the first time in the history of RHIC. In this note, the planning and preparations for p-Au run will be presented.
43 PARTICLE ACCELERATORS↗