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At least 919 records · Page 51

White Paper on Nuclear Astrophysics and Low Energy Nuclear Physics Part 1: Nuclear Astrophysics

This white paper informs the nuclear astrophysics community and funding agencies about the scientific directions and priorities of the field and provides input from this community for the 2015 Nuclear Science Long Range Plan. It summarizes the outcome of the nuclear astrophysics town meeting that was held on August 21-23, 2014 in College Station at the campus of Texas AM University in preparation of the NSAC Nuclear Science Long Range Plan. It also reflects the outcome of an earlier town meeting of the nuclear astrophysics community organized by the Joint Institute for Nuclear Astrophysics (JINA) on October 9-10, 2012 Detroit, Michigan, with the purpose of developing a vision for nuclear astrophysics in light of the recent NRC decadal surveys in nuclear physics (NP2010) and astronomy (ASTRO2010). The white paper is furthermore informed by the town meeting of the Association of Research at University Nuclear Accelerators (ARUNA) that took place at the University of Notre Dame on June 12-13, 2014. In summary we find that nuclear astrophysics is a modern and vibrant field addressing fundamental science questions at the intersection of nuclear physics and astrophysics. These questions relate to the origin of the elements, the nuclear engines that drive life and death of stars, and the properties of dense matter. A broad range of nuclear accelerator facilities, astronomical observatories, theory efforts, and computational capabilities are needed. With the developments outlined in this white paper, answers to long standing key questions are well within reach in the coming decade.

Nuclear astrophysics; White paper; Nucleosynthesis↗

Spiral Lamber's Problem with Generalized Logarithmic Spirals

Lambert’s problem subject to a continuous acceleration is solved using the family of generalized logarithmic spirals. Thanks to the existence of two first integrals related to the energy and angular momentum surprising analogies with the Keplerian case are found. A minimum-energy spiral transfer exists. Increasing the value of the constant of the generalized energy yields pairs of conjugate spiral trajectories. The properties of such spirals are strongly connected with the properties of conjugate Keplerian orbits. When the generalized constant of the energy reaches a critical value the two solutions degenerate into a pair of parabolic spirals, one of which connects the two vectors through infinity. From that point the spiral transfers become hyperbolic. Generalized logarithmic spirals admit closed-form solutions to all the required magnitudes including the time of flight, providing a deep insight into the dynamics of the problem. In addition, the maximum acceleration along the transfer is found analytically so the solutions that violate the design constraints on the maximum thrust acceleration can be rejected without any further computations. When the time of flight is fixed there is still a degree of freedom in the solution, related to a control parameter. Resonant transfers appear naturally thanks to the symmetry properties of the generalized logarithmic spirals. The problem of designing a low-thrust transfer between two bodies can be reduced to solving the corresponding spiral Lambert’s problem. In order to show the versatility of the method it is applied to the design of an asteroid tour and to explore launch opportunities to Mars.\

Roa, Javier↗

CFD Jet Mixing Model Validation against Zero-Boil-Off Tank (ZBOT) Microgravity Experiment

The Zero-Boil-Off Tank (ZBOT) experiments are a series of small scale two-phase fluids physics experiments conducted aboard the International Space Station (ISS) in 2017. A goal of these experiments is to study various fundamental fluid flow, heat and mass transport, and phase change phenomena that control storage tank pressurization and pressure control in microgravity. In this paper, results of a state-of-the-art two-phase CFD storage tank model are presented and validated against jet mixing data provided by microgravity ZBOT experiments. Jet-ullage interaction was studied in the experiment for different jet speeds representing different flow regimes, and tank fill levels. Effects of various physical parameters, such as, jet angle, gravitational acceleration and surface tension value were investigated. Computational parameters, such as turbulence and surface tension models and interface capturing scheme, affecting jet-ullage interaction were also studied. Computational results were compared to experimental results for model validation.

Mixing↗

Integrating Multi-agency Data Products in a Cloud-based Platform for Streamlined Discovery, Visualization, and Use

Earth science data users almost always have an interest in utilizing geospatial data from multiple agencies. As computing capability and cloud-based infrastructures accelerate the pace at which scientific research can be done, there is a growing need to enable search, discovery, and use of multi-agency geospatial observations relevant for a common use case - without undergoing the search and discovery process in a less efficient, disparate path with each agency. NASA’s Earth Observing System Data and Information System (EOSDIS) and NOAA’s National Environmental Satellite, Data and Information Service (NESDIS) both support a wide range of Earth science disciplines’ research, operations, and applications activities. Presently, however, there are few examples of data discovery frameworks supporting an inquiry of both NASA’s and NOAA’s extensive archives of Earth observations that are equally suitable for a particular science scenario, regardless of the agency that “owns” the data. NASA and NOAA are collaborating on a data expedition platform for exploring fire weather using data products from both agencies. Users will be able to search, discover, and visualize NASA and NOAA products in one interface. Each agency will curate metadata for its respective datasets, providing for a rich search experience. The collaboration will pilot a shared search interface into these metadata datastores. Data products will be stored in the cloud in cloud-optimized format(s). These formats will allow for optimized data access and visualization to support the “data expedition”. Avenues for further development and application of this cloud-based, multi-agency data provisioning platform will also be discussed.

cloud-based technology↗

Higher-Order Corrections to Optimisers based on Newton's Method

The Newton, Gauss–Newton and Levenberg–Marquardt methods all use the first derivative of a vector function (the Jacobian) to minimise its sum of squares. When the Jacobian matrix is ill-conditioned, the function varies much faster in some directions than others and the space of possible improvement in sum of squares becomes a long narrow ellipsoid in the linear model. This means that even a small amount of nonlinearity in the problem parameters can cause a proposed point far down the long axis of the ellipsoid to fall outside of the actual curved valley of improved values, even though it is quite nearby. This paper presents a differential equation that ‘follows’ these valleys, based on the technique of geodesic acceleration, which itself provides a 2 nd order improvement to the Levenberg–Marquardt iteration step. Higher derivatives of this equation are computed that allow n th order improvements to the optimisation methods to be derived. These higher-order accelerated methods up to 4 th order are tested numerically and shown to provide substantial reduction of both number of steps and computation time.

43 PARTICLE ACCELERATORS↗

Experimental Determination of the Effects of Frequency and Amplitude of Oscillation on the Roll-Stability Derivatives for a 60 Degree Delta-Wing Airplane Model

A 60' delta-wing airplane model was oscillated in roll for several frequencies and amplitudes of oscillation to determine the effects of the oscillatory motion on the roll-stability derivatives for the model. The derivatives were measured at a Reynolds number of 1,600,000 for the wing alone, the wing-fuselage combination, and the complete model which included a triangular-plan-form vertical tail. Both rolling and yawing moments due to rolling velocity exhibited large frequency effects for angles of attack higher than 16 degrees. Variations in these derivatives were measured for the lowest frequencies of oscillation; as the frequency increased, the derivatives because more nearly linear with angle of attack. Both velocity derivatives were considerably different at high angles of attack from the corresponding derivatives measured by the steady-state rolling-flow technique. Rolling and yawing moments due to rolling acceleration were measured and similarly found to be highly dependent on frequency at high angles of attack. Some period and time-to-damp computations, which were made to reveal the significance of the acceleration derivatives, indicated that inclusion of the measured derivatives in the equations of motion lengthened the period of the lateral oscillation by 10 percent for a typical delta-wing airplane and increased the time to damp to one-half amplitude by 50 percent.

Fisher, Lewis R.↗

Evaluating the Performance of the NASA LaRC CMF Motion Base Safety Devices

This paper describes the initial measured performance results of the previously documented NASA Langley Research Center (LaRC) Cockpit Motion Facility (CMF) motion base hardware safety devices. These safety systems are required to prevent excessive accelerations that could injure personnel and damage simulator cockpits or the motion base structure. Excessive accelerations may be caused by erroneous commands or hardware failures driving an actuator to the end of its travel at high velocity, stepping a servo valve, or instantly reversing servo direction. Such commands may result from single order failures of electrical or hydraulic components within the control system itself, or from aggressive or improper cueing commands from the host simulation computer. The safety systems must mitigate these high acceleration events while minimizing the negative performance impacts. The system accomplishes this by controlling the rate of change of valve signals to limit excessive commanded accelerations. It also aids hydraulic cushion performance by limiting valve command authority as the actuator approaches its end of travel. The design takes advantage of inherent motion base hydraulic characteristics to implement all safety features using hardware only solutions.

Gupton, Lawrence E.↗

Accelerating scientific discoveries through data-driven innovations

Developing artificial intelligence (AI) and machine learning (ML) methods that can accelerate scientific discoveries and advance science has become one of the important research directions for the AI/ML research community. It has been gaining increasing attention from researchers in diverse scientific areas, including biomedical science, materials science, climate science, physics, chemistry, and many others. Data-driven AI/ML innovations to enable reliable predictions and optimal decision making for scientific discoveries face several critical challenges, among which are high system complexity, large search space, incomplete knowledge, and small data, all of which demand novel strategies to effectively address them. Meeting these challenges and thereby accelerating scientific discoveries and industrial innovations, calls for research that can take full advantage of the latest advances in AI/ML to integrate data-driven techniques with scientific knowledge and is able to execute them in modern high-performance computing (HPC) environments at scale. This Patterns special collection "Accelerating scientific discoveries through data-driven innovations" features articles that showcase the promising roles of AI/ML and data-driven modeling in accelerating scientific discoveries and may inspire the next wave of data-driven innovations in various scientific domains.

97 MATHEMATICS AND COMPUTING↗

The adequate stimulus for avian short latency vestibular responses to linear translation

Transient linear acceleration stimuli have been shown to elicit eighth nerve vestibular compound action potentials in birds and mammals. The present study was undertaken to better define the nature of the adequate stimulus for neurons generating the response in the chicken (Gallus domesticus). In particular, the study evaluated the question of whether the neurons studied are most sensitive to the maximum level of linear acceleration achieved or to the rate of change in acceleration (da/dt, or jerk). To do this, vestibular response thresholds were measured as a function of stimulus onset slope. Traditional computer signal averaging was used to record responses to pulsed linear acceleration stimuli. Stimulus onset slope was systematically varied. Acceleration thresholds decreased with increasing stimulus onset slope (decreasing stimulus rise time). When stimuli were expressed in units of jerk (g/ms), thresholds were virtually constant for all stimulus rise times. Moreover, stimuli having identical jerk magnitudes but widely varying peak acceleration levels produced virtually identical responses. Vestibular response thresholds, latencies and amplitudes appear to be determined strictly by stimulus jerk magnitudes. Stimulus attributes such as peak acceleration or rise time alone do not provide sufficient information to predict response parameter quantities. Indeed, the major response parameters were shown to be virtually independent of peak acceleration levels or rise time when these stimulus features were isolated and considered separately. It is concluded that the neurons generating short latency vestibular evoked potentials do so as "jerk encoders" in the chicken. Primary afferents classified as "irregular", and which traditionally fall into the broad category of "dynamic" or "phasic" neurons, would seem to be the most likely candidates for the neural generators of short latency vestibular compound action potentials.

NASA Discipline Neuroscience↗

Optimizing $\mathrm{ACRT}$ to reduce inclusion formation during the $\mathrm{VGF}$ growth of cadmium zinc telluride: II. Application to experiments

Here two different accelerated crucible rotation technique (ACRT) rotation schedules are assessed, via theoretical computations and growth experiments, according to their ability to reduce tellurium-rich inclusions during the vertical gradient freeze (VGF) of cadmium zinc telluride (CZT). A vigorous rotation schedule based on classical ACRT guidelines produces a well-mixed melt that is expected to reduce tellurium inclusions compared to growth without crucible rotation. In contrast, a new ACRT schedule, derived from model-based optimization for interface stability, employs slower rotation with longer periods and is predicted to further reduce inclusions. Growth experiments corroborate these expectations. Namely, both ACRT schedules result in crystals with inclusion size and volume significantly decreased from levels found in material grown with no rotation, and material grown using the computationally optimized ACRT parameters exhibits a median inclusion size that is smaller and with a sharper distribution than in material grown via classical ACRT.

36 MATERIALS SCIENCE↗

A numerical solver for investigating the space charge effect on the electric field in liquid argon time projection chambers

This paper reports the development of a numerical solver aimed to simulate the interaction between the space charge (i.e. ions) distribution and the electric field in liquid argon time projection chamber (LArTPC) detectors. The ion transport equation is solved by a time-accurate, cell-centered finite volume method and the electric potential equation by a continuous finite element method. The electric potential equation updates the electric field which provides the drift velocity to the ion transport equation. The ion transport equation updates the space charge density distribution which appears as the source term in the electric potential equation. The interaction between the space charge distribution and the electric field is numerically simulated within each physical time step. The convective velocity in the ion transport equation can include the background flow velocity in addition to the electric drift velocity. The numerical solver has been parallelized using the Message Passing Interface (MPI) library. Numerical tests show and verify the capability and accuracy of the current numerical solver. It is planned that the developed numerical solver, together with a Computational Fluid Dynamics (CFD) package which provides the flow velocity field, can be used to investigate the space charge effect on the electric field in large-scale particle detectors.

42 ENGINEERING↗

An ICME Modeling Framework for Metal Matrix Composites Focusing on Ultrahigh Temperature Matrix Material and Tungsten Carbide Reinforcement Particulate (Final CRADA Report)

Ultra High Temperature Metal Matrix Composites (UHT-MMCs) are of interest to the due to their potential defense and aerospace applications. These materials consist of a metal matrix reinforced with a stiff ceramic or cermet. Based on a preliminary literature survey, this project will focused on a pure titanium (Ti) matrix reinforced with tungsten carbide-cobalt (WC-Co). UHT-MMC technology is still at a nascent stage of development and requires extensive experimental work to optimize the structure and resulting material properties of a particular UHT-MMC material system. An accurate and complete high-performance computing (HPC) model of the Ti/WC-Co material system could greatly accelerate the development and deployment Ti/WC-Co materials by connecting processing parameters to material properties. This type of model could then be used in an integrated computational materials engineering approach to optimize the material structure to achieve a targeted level of performance.

36 MATERIALS SCIENCE↗

Distinct Mechanisms and Hydricities of Cp*Ir-Based CO 2 Hydrogenation Catalysts in Basic Water

Transition metal-catalyzed reversible hydrogenation of CO 2 to formate in aqueous solutions under ambient conditions is an attractive environmentally friendly strategy for the storage and transportation of H 2 in a liquid chemical form. Here, mechanistic details for the CO 2 hydrogenation by a series of pentamethylcyclopentadienyl iridium(III) (Cp*Ir) complexes with picolinamidate ligands are investigated through density functional theory and kinetic isotope effects (KIEs) calculations. Additionally, adopting a speciation approach at a pH of 8.2, CO 2 hydrogenation mechanisms of 37 distinct protonation states and conformers of Cp*Ir type complexes are investigated. This imposes a challenging test for the computational modeling in terms of providing a consistent correlation with experimental kinetics and KIE studies of multiple catalysts instead of a single complex. Overall, H 2 heterolysis to generate an iridium hydride intermediate was demonstrated to be the rate determining step, which proceeds via distinct pathways depending on the stereoelectronic properties of the ligand. A peculiar iridium dihydride route was also uncovered, which could be optimized to accelerate the H 2 heterolysis. We have further computed the thermodynamic and kinetic hydricities of 74 complexes with [Cp*Ir(L)(H)] q ( q = -1, 0, 1 depending on the ligand charge by deprotonation or protonation events) general formula. Hydricity values do not show any noticeable correlation with the thermodynamics (Δ G ) of [Cp*Ir(L)(HCO 2 – )] formation but exhibit linear correlation with the kinetics (Δ G ‡ ) of electrophilic CO 2 attack to iridium hydride species, especially when the charges and local structural effects of the metal hydrides are considered. Insights gained in this study on (i) the factors determining the preferred pathway for the rate-limiting H 2 heterolysis step, (ii) the correlation between thermodynamic hydricity and the kinetics of CO 2 insertion to iridium hydride species, and (iii) mechanistic analysis via combination of free energy profiles and KIE studies for a series of iridium catalysts will provide guidelines for the design of next-generation catalysts for the reversible H 2 storage through CO 2 utilization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of GPU Data Access Patterns on Complex Geometries for the D3Q19 Lattice Boltzmann Algorithm

GPU performance of the lattice Boltzmann method (LBM) depends heavily on memory access patterns. When implemented with GPUs on complex domains, typically, geometric data is accessed indirectly and lattice data is accessed lexicographically. Although there are a variety of other options, no study has examined the relative efficacy between them. Here, we examine a suite of memory access schemes via empirical testing and performance modeling. We find strong evidence that semi-direct is often better suited than the more common indirect addressing, providing increased computational speed and reducing memory consumption. For the layout, we find that the Collected Structure of Arrays (CSoA) and bundling layouts outperform the common Structure of Array layout; on V100 and P100 devices, CSoA consistently outperforms bundling, however the relationship is more complicated on K40 devices. When compared to state-of-the-art practices, our recommendations lead to speedups of 10–40 percent and reduce memory consumption up to 17 percent. Using performance modeling and computational experimentation, we determine the mechanisms behind the accelerations. We demonstrate that our results hold across multiple GPUs on two leadership class systems, and present the first near-optimal strong results for LBM with arterial geometries run on GPUs.

42 ENGINEERING↗

A hybrid nodal-staggered pseudo-spectral electromagnetic particle-in-cell method with finite-order centering

Electromagnetic particle-in-cell (PIC) codes are widely used to perform computer simulations of a variety of physical systems, including fusion plasmas, astrophysical plasmas, plasma wakefield particle accelerators, and secondary photon sources driven by ultra-intense lasers. In a PIC code, Maxwell's equations are solved on a grid with a numerical method of choice. This article focuses on pseudo-spectral analytical time-domain (PSATD) algorithms and presents a novel hybrid PSATD PIC scheme that combines the respective advantages of standard nodal and staggered methods. The novelty of the hybrid scheme consists in using finite-order centering of grid quantities between nodal and staggered grids, in order to combine the solution of Maxwell's equations on a staggered grid with the deposition of charges and currents and the gathering of electromagnetic forces on a nodal grid. The correctness and performance of the novel hybrid scheme are assessed by means of numerical tests that employ different classes of PSATD equations in a variety of physical scenarios, ranging from the modeling of electron-positron pair creation in vacuum to the simulation of laser-driven and particle beam-driven plasma wakefield acceleration. It is shown that the novel hybrid scheme offers significant numerical and computational advantages, compared to purely nodal or staggered methods, for all the test cases presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Machine learning accelerated turbulence modeling of transient flashing jets

We report modeling the sudden depressurization of superheated liquids through nozzles is a challenge because the pressure drop causes rapid flash boiling of the liquid. The resulting jet usually demonstrates a wide range of structures, including ligaments and droplets, due to both mechanical and thermodynamic effects. As the simulation comprises increasingly numerous phenomena, the computational cost begins to increase. One way to moderate the additional cost is to use machine learning surrogacy for specific elements of the calculation. This study presents a machine learning-assisted computational fluid dynamics approach for simulating the atomization of flashing liquids accounting for distinct stages, from primary atomization to secondary breakup to small droplets using the Σ - Y model coupled with the homogeneous relaxation model. Notably, the models for thermodynamic non-equilibrium (HRM) and Σ - Y are coupled, for the first time, with a deep neural network that simulates the turbulence quantities, which are then used in the prediction of superheated liquid jet atomization. The data-driven component of this method is used for turbulence modeling, avoiding the solution of the two-equation turbulence model typically used for Reynolds-averaged Navier-Stokes simulations for these problems. Both the accuracy and speed of the hybrid approach are evaluated, demonstrating adequate accuracy and at least 25% faster computational fluid dynamics simulations than the traditional approach. This acceleration suggests that perhaps additional components of the calculation could be replaced for even further benefit. Published under an exclusive license by AIP Publishing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Characteristics of 3D turbulent jets in crossflow

Three dimensional turbulent jets in crossflow at low to medium jet-to-crossflow velocity ratios are computed with a finite volume numerical procedure which utilizes a second-moment closure model to approximate the Reynolds stresses. A multigrid method is used to accelerate the convergence rate of the procedure. Comparison of the computations to measured data show good qualitative agreement. All trends are correctly predicted, though there is some uncertainty on the height of penetration of the jet. The evolution of the vorticity field is used to explore the jet-crossflow interaction.

Demuren, A. O.↗