We provide the first demonstration that molecular-level methods based on gas kinetic theory and molecular chaos can simulate turbulence and its decay. The direct simulation Monte Carlo (DSMC) method, a molecular-level technique for simulating gas flows that resolves phenomena from molecular to hydrodynamic (continuum) length scales, is applied to simulate the Taylor-Green vortex flow. The DSMC simulations reproduce the Kolmogorov -5/3 law and agree well with the turbulent kinetic energy and energy dissipation rate obtained from direct numerical simulation of the Navier-Stokes equations using a spectral method. This agreement provides strong evidence that molecular-level methods for gases can be used to investigate turbulent flows quantitatively.
International Journal of Computational Fluid Dynamics
Gel, Aytekin; Hu, Jonathan J.; El Ould-Ahmed-Vall, Moustapha; Kalinkin, Alexander A.
Legacy codes remain a crucial element of today's simulation-based engineering ecosystem due to the extensive validation process and investment in such software. The rapid evolution of high-performance computing architectures necessitates the modernization of these codes. One approach to modernization is a complete overhaul of the code. However, this could require extensive investments, such as rewriting in modern languages, new data constructs, etc., which will necessitate systematic verification and validation to re-establish the credibility of the computational models. The current study advocates using a more incremental approach and is a culmination of several modernization efforts of the legacy code MFIX, which is an open-source computational fluid dynamics code that has evolved over several decades, widely used in multiphase flows and still being developed by the National Energy Technology Laboratory. Two different modernization approaches,‘bottom-up’ and ‘top-down’, are illustrated. Preliminary results show up to 8.5x improvement at the selected kernel level with the first approach, and up to 50% improvement in total simulated time with the latter were achieved for the demonstration cases and target HPC systems employed.
Remote temperature sensing is essential for applications in enclosed vessels, where feedthroughs or optical access points are not possible. A unique sensing method for measuring the temperature of multiple closely spaced points is proposed using permanent magnets and several three-axis magnetic field sensors. The magnetic field theory for multiple magnets is discussed and a solution technique is presented. Experimental calibration procedures, solution inversion considerations, and methods for optimizing the magnet orientations are described in order to obtain low-noise temperature estimates. The experimental setup and the properties of permanent magnets are shown. Finally, experiments were conducted to determine the temperature of nine magnets in different configurations over a temperature range of 5 °C to 60 °C and for a sensor-to-magnet distance of up to 35 mm. To show the possible applications of this sensing system for measuring temperatures through metal walls, additional experiments were conducted inside an opaque 304 stainless steel cylinder.
The familiar story of Moore's law is actually inaccurate. This article corrects the story, leading to different projections for the future. Moore's law is a fluid idea whose definition changes over time. It thus doesn't have the ability to 'end,' as is popularly reported, but merely takes different forms as the semiconductor and computer industries evolve.
Solving sparse linear systems from the discretization of elliptic partial differential equations (PDEs) is an important building block in many engineering applications. Sparse direct solvers can solve general linear systems, but are usually slower and use much more memory than effective iterative solvers. To overcome these two disadvantages, a hierarchical solver (LoRaSp) based on H2-matrices was introduced in [22]. Here, we have developed a parallel version of the algorithm in LoRaSp to solve large sparse matrices on distributed memory machines. On a single processor, the factorization time of our parallel solver scales almost linearly with the problem size for three-dimensional problems, as opposed to the quadratic scalability of many existing sparse direct solvers. Moreover, our solver leads to almost constant numbers of iterations, when used as a preconditioner for Poisson problems. On more than one processor, our algorithm has significant speedups compared to sequential runs. With this parallel algorithm, we are able to solve large problems much faster than many existing packages as demonstrated by the numerical experiments.
This report describes findings from the culminating experiment of the LDRD project entitled, "Analyst-to-Analyst Variability in Simulation-Based Prediction". For this experiment, volunteer participants solving a given test problem in engineering and statistics were interviewed at different points in their solution process. These interviews are used to trace differing solutions to differing solution processes, and differing processes to differences in reasoning, assumptions, and judgments. The issue that the experiment was designed to illuminate -- our paucity of understanding of the ways in which humans themselves have an impact on predictions derived from complex computational simulations -- is a challenging and open one. Although solution of the test problem by analyst participants in this experiment has taken much more time than originally anticipated, and is continuing past the end of this LDRD, this project has provided a rare opportunity to explore analyst-to-analyst variability in significant depth, from which we derive evidence-based insights to guide further explorations in this important area.
Si-MOS based QD qubits are attractive due to their similarity to the current semiconductor industry. We introduce a highly tunable MOS foundry compatible qubit design that couples an electrostatic quantum dot (QD) with an implanted donor. We show for the first time coherent two-axis control of a two-electron spin logical qubit that evolves under the QD-donor exchange interaction and the hyperfine interaction with the donor nucleus. The two interactions are tuned electrically with surface gate voltages to provide control of both qubit axes. Qubit decoherence is influenced by charge noise, which is of similar strength as epitaxial systems like GaAs and Si/SiGe.
Time integration is a central component for most transient simulations. It coordinates many of the major parts of a simulation together, e.g., a residual calculation with a transient solver, solution with the output, various operator-split physics, and forward and adjoint solutions for inversion. Even though there is this variety in these transient simulations, there is still a common set of algorithms and procedures to progress transient solutions for ordinary-differential equations (ODEs) and differential-alegbraic equations (DAEs). Rythmos is a collection of these algorithms that can be used for the solution of transient simulations. It provides common time-integration methods, such as Backward and Forward Euler, Explicit and Implicit Runge-Kutta, and Backward-Difference Formulas. It can also provide sensitivities, and adjoint components for transient simulations. Rythmos is a package within Trilinos, and requires some other packages (e.g., Teuchos and Thrya) to provide basic time-integration capabilities. It also can be coupled with several other Trilinos packages to provide additional capabilities (e.g., AztecOO and Belos for linear solutions, and NOX for non-linear solutions). The documentation is broken down into three parts: Theory Manual, User's Manual, and Developer's Guide. The Theory Manual contains the basic theory of the time integrators, the nomenclature and mathematical structure utilized within Rythmos, and verification results demonstrating that the designed order of accuracy is achieved. The User's Manual provides information on how to use the Rythmos, description of input parameters through Teuchos Parameter Lists, and description of convergence test examples. The Developer's Guide is a high-level discussion of the design and structure of Rythmos to provide information to developers for the continued development of capabilities. Details of individual components can be found in the Doxygen webpages.
DRAM technology is the main building block of main memory, however, DRAM scaling is becoming very challenging. The main issues for DRAM scaling are the increasing error rates with each new generation, the geometric and physical constraints of scaling the capacitor part of the DRAM cells, and the high power consumption caused by the continuous need for refreshing cell values. At the same time, emerging Non- Volatile Memory (NVM) technologies, such as Phase-Change Memory (PCM), are emerging as promising replacements for DRAM. NVMs, when compared to current technologies e.g., NAND-based ash, have latencies comparable to DRAM. Additionally, NVMs are non-volatile, which eliminates the need for refresh power and enables persistent memory applications. Finally, NVMs have promising densities and the potential for multi-level cell (MLC) storage.
