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At least 523 records · Page 29

Advances in Mixed Precision Algorithms: 2021 Edition

Over the last year, the ECP xSDK-multiprecision effort has made tremendous progress in developing and deploying new mixed precision technology and customizing the algorithms for the hardware deployed in the ECP flagship supercomputers. The effort also has succeeded in creating a cross-laboratory community of scientists interested in mixed precision technology and now working together in deploying this technology for ECP applications. In this report, we highlight some of the most promising and impactful achievements of the last year. Among the highlights we present are: Mixed precision IR using a dense LU factorization and achieving a 1.8× speedup on Spock; results and strategies for mixed precision IR using a sparse LU factorization; a mixed precision eigenvalue solver; Mixed Precision GMRES-IR being deployed in Trilinos, and achieving a speedup of 1.4× over standard GMRES; compressed Basis (CB) GMRES being deployed in Ginkgo and achieving an average 1.4× speedup over standard GMRES; preparing hypre for mixed precision execution; mixed precision sparse approximate inverse preconditioners achieving an average speedup of 1.2×; and detailed description of the memory accessor separating the arithmetic precision from the memory precision, and enabling memory-bound low precision BLAS 1/2 operations to increase the accuracy by using high precision in the computations without degrading the performance. We emphasize that many of the highlights presented here have also been submitted to peer-reviewed journals or established conferences, and are under peer-review or have already been published.

97 MATHEMATICS AND COMPUTING↗

Advances in Mixed Precision Algorithms: 2021 Edition

Over the last year, the ECP xSDK-multiprecision effort has made tremendous progress in developing and deploying new mixed precision technology and customizing the algorithms for the hardware deployed in the ECP flagship supercomputers. The effort also has succeeded in creating a cross-laboratory community of scientists interested in mixed precision technology and now working together in deploying this technology for ECP applications. In this report, we highlight some of the most promising and impactful achievements of the last year. Among the highlights we present are • Mixed precision IR using a dense LU factorization and achieving a 1.8× speedup on Spock; • Results and strategies for mixed precision IR using a sparse LU factorization; • A mixed precision eigenvalue solver; • Mixed Precision GMRES-IR being deployed in Trilinos, and achieving a speedup of 1.4× over standard GMRES; • Compressed Basis (CB) GMRES being deployed in Ginkgo and achieving an average 1.4× speedup over standard GMRES; • Preparing hypre for mixed precision execution; • Mixed precision sparse approximate inverse preconditioners achieving an average speedup of 1.2×; • Detailed description of the memory accessor separating the arithmetic precision from the memory precision, and enabling memory-bound low precision BLAS 1/2 operations to increase the accuracy by using high precision in the computations without degrading the performance. We emphasize that many of the highlights presented here have also been submitted to peer-reviewed journals or established conferences, and are under peer-review or have already been published.

97 MATHEMATICS AND COMPUTING↗

A kinematic eddy viscosity model including the influence of density variations and preturbulence

A model for the kinematic eddy viscosity was developed which accounts for the turbulence produced as a result of jet interactions between adjacent streams as well as the turbulence initially present in the streams. In order to describe the turbulence contribution from jet interaction, the eddy viscosity suggested by Prandtl was adopted, and a modification was introduced to account for the effect of density variation through the mixing layer. The form of the modification was ascertained from a study of the compressible turbulent boundary layer on a flat plate. A kinematic eddy viscosity relation which corresponds to the initial turbulence contribution was derived by employing arguments used by Prandtl in his mixing length hypothesis. The resulting expression for self-preserving flow is similar to that which describes the mixing of a submerged jet. Application of the model has led to analytical predictions which are in good agreement with available turbulent mixing experimental data.

Cohen, L. S.↗

Design and Test of Mixed-flow Impellers III : Design and Experimental Results for Impeller Model MFI-2A and Comparison with Impeller Model MFI-1A

A mixed-flow impeller was designed to give a prescribed blade-surface velocity distribution at mean blade height for a given hub-shroud profile. The blade shape at mean blade height, which was produced by the prescribed velocity distribution, was extended by means of radial lines to form the composite blade shape from hub to shroud. The resulting blade was relatively thick; therefore, it was necessary to retain the inverse blade taper which resulted from extension of the radial lines in order to prevent merging or near merging of the separate blades near the hub. For the first test version of the impeller, designated the MFI-2A, the blade height was arbitrarily made greater than that for the basic impeller (the MFI-2) to allow for viscous effects. At design equivalent speed of 1400 feet per second the peak pressure ratio and maximum adiabatic efficiency were 3.95 and 79 percent, respectively. The adiabatic efficiency of the MFI-2A is four points lower than that for impeller model MFI-1A, but because of the higher slip factor for the MFI-2A, the pressure ratios are approximately equal. The procedures followed in the design of the MFI-1A and MFI-2A were, in general, the same; and, although the prescribed initial condition resulted in geometrical configurations that were quite dissimilar, the resulting performance characteristics compare favorably with designs for which considerable development work has been necessary.

COMPRESSION AND COMPRESSORS↗

Turbulence modeling for high speed compressible flows

The following grant objectives were delineated in the proposal to NASA: to offer course work in computational fluid dynamics (CFD) and related areas to enable mechanical engineering students at North Carolina A&T State University (N.C. A&TSU) to pursue M.S. studies in CFD, and to enable students and faculty to engage in research in high speed compressible flows. Since no CFD-related activity existed at N.C. A&TSU before the start of the NASA grant period, training of students in the CFD area and initiation of research in high speed compressible flows were proposed as the key aspects of the project. To that end, graduate level courses in CFD, boundary layer theory, and fluid dynamics were offered. This effort included initiating a CFD course for graduate students. Also, research work was performed on studying compressibility effects in high speed flows. Specifically, a modified compressible dissipation model, which included a fourth order turbulent Mach number term, was incorporated into the SPARK code and verified for the air-air mixing layer case. The results obtained for this case were compared with a wide variety of experimental data to discern the trends in the mixing layer growth rates with varying convective Mach numbers. Comparison of the predictions of the study with the results of several analytical models was also carried out. The details of the research study are described in the publication entitled 'Compressibility Effects in Modeling Turbulent High Speed Mixing Layers,' which is attached to this report.

Chandra, Suresh↗

Use of microbial carbonation process to enable self‑carbonation of reactive MgO cement mixes

The low hydration and carbonation of reactive MgO cement (RMC) under ambient conditions causes prolonged setting and low compressive strengths (~4 MPa). This study proposed a unique technique which led to the enhancement of the hydration and carbonation processes via the synergistic combination of microbial carbonation process (MCP) with a hydration agent (HA) that enabled the self‑carbonation of RMC-based mixes without using of any special curing environments. Through hydrolysing urea (CO(NH{sub 2}){sub 2}) using ureolytic bacteria, CO{sub 3}{sup 2−} ions were produced to facilitate the carbonation of dissolved Mg{sup 2+} ions to form hydrated magnesium hydroxy carbonates (HMHCs). The self‑carbonation of RMC enabled by the MCP resulted in formation of brucite with a poor crystallinity and its rapid conversion into HMHCs, which improved the setting time and compressive strength of RMC-based samples. The simultaneous use of MCP with 2 M urea and HA revealed HMHCs with improved morphologies, resulting in the highest compressive strength (~15 MPa).

36 MATERIALS SCIENCE↗

Subgrid-scale effects in compressible variable-density decaying turbulence

We present that many turbulent flows are characterized by complex scale interactions and vorticity generation caused by compressibility and variable-density effects. In the large-eddy simulation of variable-density flows, these processes manifest themselves as subgrid-scale (SGS) terms that interact with the resolved-scale flow. This paper studies the effect of the variable-density SGS terms and quantifies their relative importance. We consider the SGS terms appearing in the density-weighted Favre-filtered equations and in the unweighted Reynolds-filtered equations. The conventional form of the Reynolds-filtered momentum equation is complicated by a temporal SGS term; therefore, we derive a new form of the Reynolds-filtered governing equations that does not contain this term and has only double-correlation SGS terms. The new form of the filtered equations has terms that represent the SGS mass flux, pressure-gradient acceleration and velocity-dilatation correlation. To evaluate the dynamical significance of the variable-density SGS effects, we carry out direct numerical simulations of compressible decaying turbulence at a turbulent Mach number of 0.3. Two different initial thermodynamic conditions are investigated: homentropic and a thermally inhomogeneous gas with regions of differing densities. The simulated flow fields are explicitly filtered to evaluate the SGS terms. The importance of the variable-density SGS terms is quantified relative to the SGS specific stress, which is the only SGS term active in incompressible constant-density turbulence. It is found that while the variable-density SGS terms in the homentropic case are negligible, they are dynamically significant in the thermally inhomogeneous flows. Investigation of the variable-density SGS terms is therefore important, not only to develop variable-density closures but also to improve the understanding of scale interactions in variable-density flows.

42 ENGINEERING↗

Data-driven assessment of magnetic charged particle confinement parameter scaling in magnetized liner inertial fusion experiments on Z

In magneto-inertial fusion, the ratio of the characteristic fuel length perpendicular to the applied magnetic field R to the α-particle Larmor radius $ϱ_α$ is a critical parameter setting the scale of electron thermal-conduction loss and charged burn-product confinement. Here, using a previously developed deep-learning-based Bayesian inference tool, we obtain the magnetic-field fuel-radius product BR ∝ R / $ϱ_α$ from an ensemble of 16 magnetized liner inertial fusion (MagLIF) experiments. Observations of the trends in BR are consistent with relative trade-offs between compression and flux loss as well as the impact of mix from 1D resistive radiation magneto-hydrodynamics simulations in all but two experiments, for which 3D effects are hypothesized to play a significant role. Finally, we explain the relationship between BR and the generalized Lawson parameter χ. Our results indicate the ability to improve performance in MagLIF through careful tuning of experimental inputs, while also highlighting key risks from mix and 3D effects that must be mitigated in scaling MagLIF to higher currents with a next-generation driver.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Understanding transition and turbulence through direct simulations

Direct simulations consist in solving the full Navier-Stokes equations, without any turbulence model, and describing all the detailed features of the flow. Usually the flows are three-dimensional and time-dependent and contain both coarse and fine structures, which makes the numerical task very challenging in terms of both the algorithm and the computational effort. Most of the work until now has involved spectral methods, which are highly accurate but not very flexible in terms of geometry or complex equations. For that reason, future work will also rely on high-order finite-difference or other methods. Direct simulations complement experimental work, and both contribute to the theory and the empirical knowledge of turbulence. Once such a simulation has been shown to be accurate, the flow field is completely known in three dimensions and time, including the pressure, the vorticity and any other quantity. On the other hand, most simulations to date solved the incompressible equations in rather simple geometries, and direct simulations will always be limited to moderate Reynolds numbers. Extensive simulations have been conducted in homogeneous turbulence, channel flows, boundary layers, and mixing layers. Much effort is devoted to addressing flows with compressibility and chemical reactions, and to new geometries such as a backward-facing step.

Spalart, P. R.↗

Dual-Pump CARS Development and Application to Supersonic Combustion

A dual-pump Coherent Anti-Stokes Raman Spectroscopy (CARS) instrument has been developed to obtain simultaneous measurements of temperature and absolute mole fractions of N2, O2 and H2 in supersonic combustion and generate databases for validation and development of CFD codes. Issues that compromised previous attempts, such as beam steering and high irradiance perturbation effects, have been alleviated or avoided. Improvements in instrument precision and accuracy have been achieved. An axis-symmetric supersonic combusting coaxial jet facility has been developed to provide a simple, yet suitable flow to CFD modelers. Approximately one million dual-pump CARS single shots have been collected in the supersonic jet for varying values of flight and exit Mach numbers at several locations. Data have been acquired with a H2 co-flow (combustion case) or a N2 co-flow (mixing case). Results are presented and the effects of the compressibility and of the heat release are discussed.

Magnotti, Gaetano↗

TPSAS-NF1676L-18481-DND

Background: - Many of problems of interest involve involve moving or deforming geometries - Governing equations written in Arbitrary Lagrangian-Eulerian (ALE) form to account for grid speed - Nondimensionalization often more involved/confusing/critical Compatibility: - Fully compatible for compressible/incompressible flows; mixed elements; 2D/3D - Not compatible with generic gas model Status: - Compressible path with moving grids is exercised routinely; incompressible path much less so - 6-DOF option has had very limited testing / usage

Bob Biedron↗

Efficient turbine engine using integrated ammonia fuel processing

A gas turbine engine includes a core engine that includes a core flow path where air is compressed in a compressor section, communicated to a combustor section, mixed with an ammonia based fuel and ignited to generate a high energy combusted gas flow that is expanded through a turbine section. The turbine section is mechanically coupled to drive the compressor section. An ammonia flow path communicates an ammonia flow to the combustor section. A cracking device is disposed in the ammonia flow path. The cracking device is configured to decompose the ammonia flow into a fuel flow containing hydrogen (H2). At least one heat exchanger is upstream of the cracking device that provides thermal communication between the ammonia flow and a working fluid flow such that the ammonia fluid flow accepts thermal energy from the working fluid flow.

Smith, Lance L.↗

Water separator for hydrogen steam injected turbine engine

A propulsion system for an aircraft includes a core engine that includes a core flow path where air is compressed in a compressor section, communicated to a combustor section, mixed with a hydrogen based fuel and ignited to generate a core gas flow that is expanded through a turbine section. The propulsion system includes a hydrogen fuel system that is configured to supply hydrogen fuel to the combustor through a fuel flow path, a condenser that is arranged along the core flow path and configured to condense water within the core gas flow, and a separator that includes an inlet, a primary water outlet and an exit that includes a plurality of exit guide vanes for straightening the core gas flow that proceeds through the exit. The exit guide vanes include a secondary water outlet for removing condensed water in the core gas flow that proceeds through the exit.

Terwilliger, Neil J.↗

Direct numerical simulation of supercritical oxy-methane mixing layers with CO 2 substituted counterparts

Direct numerical simulations (DNS) of temporally developing, three dimensional, CH 4 /CO 2 , CH 4 /O 2 and CO 2 /O 2 mixing layers, are conducted at a supercritical pressure of 300 atm. To effectively model the supercritical regime, the employed formulation includes the compressible form of the governing equations, the cubic Peng-Robinson equation of state and a generalized formulation for heat and mass flux vectors derived from non-equilibrium thermodynamics and fluctuation theory. A linear inviscid stability analysis is also performed for each case, to determine its most unstable wavelength. Flow visualizations reveal the presence of high density gradient magnitude regions for all three mixing layers, with conditional averages indicating increased presence of heavier fluid species within these regions. No significant departures are observed from perfect gas behavior, with compressibility factors very close to unity for all three mixing cases. Applicability of presumed probability density function methods (PDF) is examined for the three supercritical mixing layers. An a priori analysis is also conducted to investigate various simplifying assumptions employed in modeling various subgrid scale (SGS) flux models. Two additional terms are identified in the large eddy simulations (LES) equations, the gradient of SGS contribution of pressure in the momentum equation and the gradient of SGS contribution of heat flux in energy equation, whose magnitudes are similar and comparable with their respective resolved terms. The performance of the scale similarity model to represent these additional terms is investigated. Lastly, the performance of Smagorinsky, gradient and scale similarity models are also investigated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A comparative study of several compressibility corrections to turbulence models applied to high-speed shear layers

Several recently published compressibility corrections to the standard k-epsilon turbulence model are used with the Navier-Stokes equations to compute the mixing region of a large variety of high speed flows. These corrections, specifically developed to address the weakness of higher order turbulence models to accurately predict the spread rate of compressible free shear flows, are applied to two stream flows of the same gas mixing under a large variety of free stream conditions. Results are presented for two types of flows: unconfined streams with either (1) matched total temperatures and static pressures, or (2) matched static temperatures and pressures, and a confined stream.

Viegas, John R.↗

A mixed volume grid approach for the Euler and Navier-Stokes equations

An approach for solving the compressible Euler and Navier-Stokes equations upon meshes composed of nearly arbitrary polyhedra is described. Each polyhedron is constructed from an arbitrary number of triangular and quadrilateral face elements, allowing the unified treatment of tetrahedral, prismatic, pyramidal, and hexahedral cells, as well the general cut cells produced by Cartesian mesh approaches. The basics behind the numerical approach and the resulting data structures are described. The accuracy of the mixed volume grid approach is assessed by performing a grid refinement study upon a series of hexahedral, tetrahedral, prismatic, and Cartesian meshes for an analytic inviscid problem. A series of laminar validation cases are made, comparing the results upon differing grid topologies to each other, to theory, and experimental data. A computation upon a prismatic/tetrahedral mesh is made simulating the laminar flow over a wall/cylinder combination.

Coirier, William J.↗

Scaling relationships for the elastic moduli and viscosity of mixed lipid membranes

The elastic and viscous properties of biological membranes play a vital role in controlling cell functions that require local reorganization of the membrane components as well as dramatic shape changes such as endocytosis, vesicular trafficking, and cell division. These properties are widely acknowledged to depend on the unique composition of lipids within the membrane, yet the effects of lipid mixing on the membrane biophysical properties remain poorly understood. Here, we present a comprehensive characterization of the structural, elastic, and viscous properties of fluid membranes composed of binary mixtures of lipids with different tail lengths. We show that the mixed lipid membrane properties are not simply additive quantities of the single-component analogs. Instead, the mixed membranes are more dynamic than either of their constituents, quantified as a decrease in their bending modulus, area compressibility modulus, and viscosity. While the enhanced dynamics are seemingly unexpected, we show that the measured moduli and viscosity for both the mixed and single-component bilayers all scale with the area per lipid and collapse onto respective master curves. This scaling links the increase in dynamics to mixing-induced changes in the lipid packing and membrane structure. More importantly, the results show that the membrane properties can be manipulated through lipid composition the same way bimodal blends of surfactants, liquid crystals, and polymers are used to engineer the mechanical properties of soft materials, with broad implications for understanding how lipid diversity relates to biomembrane function.

59 BASIC BIOLOGICAL SCIENCES↗

Carbon nanofibers (CNFs) dispersed in ultra-high performance concrete (UHPC): Mechanical property, workability and permeability investigation

This paper presents experimental data on the effect of carbon nano-fiber (CNF) dispersion on mechanical behavior, workability, and permeability of ultra-high-performance concrete containing CNF (UHPC-CNF). The addition of CNFs in concrete has been shown to provide improved performance. However, an inhomogeneous distribution of CNFs in the cement matrix can result in no impact or decreased mechanical performance. Due to the van der Waal's forces and hydrophobic surface properties of the CNFs, good dispersion in mix fluids and cement paste is challenging. Experimental studies of UHPC-CNF with different dispersion methods are provided. Further mixing with optimized UHPC paste allowed for the investigation of the optimal dosage of CNFs, impact on porosity, compressive strength, flexural strength, hydration rate, and slump. Scanning electron microscopy (SEM) analysis visually revealed the effect of dispersion. Our results indicate that shear mixing and subsequent ultrasonic dispersion with chemical surfactants can provide a well-dispersion liquid admixture of CNFs resulting in high mechanical performance of UHPC-CNFs composites. The water permeability and chloride resistance of optimized UHPC-CNFs composites were further evaluated with the wicking test and ponding test to reveal improved performance for these properties as well.

36 MATERIALS SCIENCE↗