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At least 1,315 records · Page 73

1000 to 1200 K time-dependent compressive deformation of single-crystalline and polycrystalline B2 Ni-40Al

The 1000-K and 1200-K time-dependent deformation of 100-line-oriented and non-100-line-oriented single crystals of Ni-40Al (made by a modified Bridgman technique) was examined over a large range of strain rates (from 0.1 to 10 to the -7th per sec). The results were compared with those for polycrystalline Ni-40Al made by hot pressing XD synthesized powder. The results from measurements of slow-plastic-strain-rate properties of the two materials show that single crystals offer no strength advantage over polycrystalline material. Both forms were found to deform via a dislocation climb mechanism.

Whittenberger, J. D.↗

Prediction of the Inter-Tube Flow Mode Transitions in the Evaporators of Multi-Effect Thermal Desalination Plants

Water is one of the most stressed resources on the planet. The limited availability of fresh water and the high cost of transportation have led to an increased interest in water desalination technologies. The two main categories of desalination techniques are membrane desalination and thermal desalination. Membrane technologies include pressure driven and electrical driven membranes. On the other hand, thermal desalination includes: multi-effect desalination (MED), multi-stage flash (MSF) desalination, and mechanical vapor compression desalination. Multi-effect desalination plants are usually made of a series of evaporators (also known as effects). In each effect, hot steam flows inside the tubes and evaporates the seawater that falls on the outside of the tubes. The vapor formed at each effect flows to the next effect and acts as the heating medium for the falling seawater. The prevailing flow mode of the falling seawater (i.e. droplet, jet, or sheet) influences heat and mass transfer as well as dry out in the evaporators of Multi-Effect Desalination (MED) plants. The objective of this paper is to predict and discuss the prevailing falling film flow modes in the evaporators of MED plants, under different operating conditions. The paper demonstrates the transitional Reynolds numbers between the main falling film modes for seawater. This closes a gap in the literature where there is a dearth of mode transition data for seawater. The effect of fluid properties and tube geometry on the transitions is discussed in details. As a result, the accuracy of the predicted transitional Reynolds numbers is evaluated via uncertainty quantification techniques.

availability↗

A comparative study of Navier-Stokes codes for high-speed flows

A comparative study was made with four different codes for solving the compressible Navier-Stokes equations using three different test problems. The first of these cases was hypersonic flow through the P8 inlet, which represents inlet configurations typical of a hypersonic airbreathing vehicle. The free-stream Mach number in this case was 7.4. This 2-D inlet was designed to provide an internal compression ratio of 8. Initial calculations were made using two state-of-the-art finite-volume upwind codes, CFL3D and USA-PG2, as well as NASCRIN, a code which uses the unsplit finite-difference technique of MacCormack. All of these codes used the same algebraic eddy-viscosity turbulence model. In the experiment, the cowl lip was slightly blunted; however, for the computations, a sharp cowl leading edge was used to simplify the construction of the grid. The second test problem was the supersonic (Mach 3.0) flow in a three-dimensional corner formed by the intersection of two wedges with equal wedge angles of 9.48 degrees. The flow in such a corner is representative of the flow in the corners of a scramjet inlet. Calculations were made for both laminar and turbulent flow and compared with experimental data. The three-dimensional versions of the three codes used for the inlet study (CFL3D, USA-PG3, and SCRAMIN, respectively) were used for this case. For the laminar corner flow, a fourth code, LAURA, which also uses recently-developed upwind technology, was also utilized. The final test case is the two-dimensional hypersonic flow over a compression ramp. The flow is laminar with a free-stream Mach number of 14.1. In the experiment, the ramp angle was varied to change the strength of the ramp shock and the extent of the viscous-inviscid interaction. Calculations were made for the 24-degree ramp configuration which produces a large separated-flow region that extends upstream of the corner.

Rudy, David H.↗

Sound speed determination in copper shock compressed to 190 GPa

Sound speed measurements in shock compressed solids have long been valuable for the development of equations of state at extreme conditions, shock-induced phase transformations, and a comprehensive characterization of the thermophysical response of high-pressure standards. We present results from plate impact experiments to 190 GPa to determine the longitudinal sound speed in copper—an important high-pressure standard. Surprisingly, the sound speeds determined using the two most common experimental techniques—the front surface impact (FSI) approach and the release wave overtake (RWO) approach—diverge significantly for stresses greater than ~100 GPa. Further analyses, including numerical simulations, show that the FSI experiments provide the correct sound speeds and that fundamental assumptions underlying the RWO method are likely violated due to the complex release response of shock compressed copper. The sound speeds determined using the FSI approach provide for a more accurate high-pressure description of copper in dynamic compression experiments. The present findings are in contrast to the results for shock compressed silver [Wallace et al., Phys. Rev. B 104, 214106 (2021)], where both methods provided consistent sound speed results. Thus, the findings presented here demonstrate the need to experimentally verify the validity of the RWO method on a case-by-case basis. Finally, we note that even at the high stresses in the present work, the copper unloading response shows a time-dependent, quasielastic response often observed in metals at lower stresses.

36 MATERIALS SCIENCE↗

Amorphization and Plasticity of Olivine During Low-Temperature Micropillar Deformation Experiments

Experimentally quantifying the viscoplastic rheology of olivine at the high stresses and low temperatures of the shallow lithosphere is challenging due to olivine's propensity to deform by brittle mechanisms at these conditions. In this study, we use microscale uniaxial compression tests to investigate the rheology of an olivine single crystal at room pressure and temperature. Pillars with nominal diameters of 1.25 μm were prepared using a focused ion beam milling technique and were subjected to sustained axial stresses of several gigapascal. The majority of the pillars failed after dwell times ranging from several seconds to a few hours. However, several pillars exhibited clear evidence of plastic deformation without failure after 4–8 hr under load. The corresponding creep strain rates are estimated to be on the order of 10-6 to 10 -7 s -1 . The uniaxial stresses required to achieve this deformation (4.1–4.4 GPa) are in excellent agreement with complementary data obtained using nanoindentation techniques. Scanning transmission electron microscopy observations indicate that deformation occurred along amorphous shear bands within the deformed pillars. Electron energy loss spectroscopy measurements revealed that the bands are enriched in Fe and depleted in Mg. We propose that inhomogeneities in the cation distribution in olivine concentrate stress and promote the amorphization of the Fe-rich regions. Finally, the time dependence of catastrophic failure events suggests that the amorphous bands must grow to some critical length scale to generate an unstable defect, such as a shear crack.

58 GEOSCIENCES↗

Weak-Form Latent Space Dynamics Identification

This software showcases the enhanced capabilities of the Latent Space Dynamics Identification (LaSDI) algorithm through the application of the weak form, resulting in WLaSDI. WLaSDI first compresses the data, then projects it onto test functions, and subsequently learns the local latent space models. Notably, WLaSDI demonstrates significantly improved robustness to noise. Using weak-form equation learning techniques, WLaSDI achieves local latent space modeling. Compared to the standard sparse identification of nonlinear dynamics (SINDy) used in LaSDI, the variance reduction of the weak form ensures robust and precise latent space recovery, enabling fast, robust, and accurate simulations. We demonstrate the efficacy of WLaSDI against LaSDI using several common benchmark examples, including viscid and inviscid Burgers', radial advection, and heat conduction. For instance, in 1D inviscid Burgers' simulations with up to 100% Gaussian white noise, WLaSDI maintains relative errors consistently below 6%, whereas LaSDI errors can exceed 10,000%. Similarly, in radial advection simulations, WLaSDI keeps relative errors below 16%, compared to potential errors of up to 10,000% with LaSDI. Additionally, WLaSDI achieves significant speedups, such as a 140X speedup in 1D Burgers' simulations compared to the corresponding full order model.

Choi, Youngsoo↗

Report on local data recovery approaches suitable for weather and climate prediction (Deliverable 1.3) (V.1.0)

Numerical weather and climate prediction rates as one of the scientific applications whose accuracy improvements greatly depend on the growth of the available computing power. As the number of cores in top computing facilities pushes into the millions, increasing average frequency of hardware and software failures forces users to review their algorithms and systems in order to protect simulations from breakdown. This report surveys approaches for fault-tolerance in numerical algorithms and system resilience in parallel simulations from the perspective of numerical weather and climate prediction systems. A selection of existing strategies is analyzed, featuring interpolation-restart and compressed checkpointing for the numerics, in-memory checkpointing, user-level failure mitigation-based and backup-based methods for the systems. Numerical examples showcase the performance of the techniques in addressing faults, with particular emphasis on iterative solvers for linear systems, a staple of atmospheric fluid flow solvers. The potential impact of these strategies is discussed in relation to current development of numerical weather prediction algorithms and systems towards the exascale. Trade-offs between performance, efficiency and effectiveness of resiliency strategies are analyzed and some recommendations outlined for future developments.

97 MATHEMATICS AND COMPUTING↗

LANL-UW Collaboration on LC-QTOF Datasets (Annual Report)

Prior to the application of non-targeted chemometric techniques (i.e., Fisher ratio analysis), pre-processing steps must be carried out on the data collected using liquid chromatography-quadrupole time of flight (LC-QTOF) mass spectrometry. Data compression is the most important pre-processing step due to the vast number of high-resolution mass channels (m/z; 0.0001 Da) collected. Our first approach was to bin the mass spectral dimension to 0.01 Da; however, this approach was computationally expensive and did not preserve the high-resolution data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design and Characterization of a Lens-Coupled System for Dynamic X-Ray Diffraction

X-ray diffraction (XRD) is a necessary technique for understanding states of materials under static and dynamic loading conditions. The higher-pressure Equation of State (EOS) of many materials can only be explored via shock or ramp compression at temperatures and pressures of interest. While static XRD work has yielded EOS measurements in the 100 - 200 GPa regime, dynamic X-ray diffraction (DXRD) can explore EOS phases in the TPa regime, which closely resembles inner-core planetary conditions. DXRD hinges on the ability to measure the exact phase or phase change of a material while under dynamic loading conditions. Macroscopic diagnostic systems (e.g. velocimetry and pyrometry) can infer a phase change but not identify the specific phase entered by a material. While microscopic (atomic-level) diagnostic systems (e.g. DXRD) have been designed and implemented in Department of Energy’s (DOE) National Laboratories complex, the unique nature of Sandia National Laboratories’ Pulsed Power Facility (Z Machine) prohibits the use of such devices. The destructive nature of Z experiments presents a challenge to data capture and retrieval. Furthermore there are electromagnetic interference, X-ray background, and mechanical constraints to consider. Thus, a multi-part X-ray diagnostic for use on the Z Machine and Z-Beamlet Laser system has been designed and analyzed. Portions of this new DYnamic SCintillator Optic (DYSCO) have been built, tested and fielded. A data analysis software has been written. Finally, the radiance profile of the DYSCO’s scintillator has been characterized through experiments performed at the University of Arizona.

36 MATERIALS SCIENCE↗

Vibronic Relaxation Pathways in Molecular Spin Qubit Na 9 [Ho(W 5 O 18 ) 2 ]·35H 2 O under Pressure

In order to explore how spectral sparsity and vibronic decoherence pathways can be controlled in a model qubit system with atomic clock transitions, we combined diamond anvil cell techniques with synchrotron-based far infrared spectroscopy and first-principles calculations to reveal the vibrational response of Na 9 [Ho(W 5 O 18 ) 2 ]·35H 2 O under compression. Because the hole in the phonon density of states acts to reduce the overlap between the phonons and f manifold excitations in this system, we postulated that pressure might move the HoO 4 rocking, bending, and asymmetric stretching modes that couple with the M J = ±5, ±2, and ±7 levels out of resonance, reducing their interactions and minimizing decoherence processes, while a potentially beneficial strategy for some molecular qubits, pressure slightly hardens the phonons in Na 9 [Ho(W 5 O 18 ) 2 ]·35H 2 O and systematically fills in the transparency window in the phonon response. The net result is that the vibrational spectrum becomes less sparse and the overlap with the various M J levels of the Ho 3+ ion actually increases. These findings suggest that negative pressure, achieved using chemical means or elongational strain, could further open the transparency window in this rare earth-containing spin qubit system, thus paving the way for the use of device surfaces and interface elongational/compressive strains to better manage decoherence pathways.

36 MATERIALS SCIENCE↗

A simple method of calculating power-law velocity profile exponents from experimental data

Analytical expressions for the effects of compressibility and heat transfer on laminar and turbulent shape factors H have been developed. Solving the turbulent equation for the power law velocity profile exponent N has resulted in a simple technique by which the N values of experimental turbulent profiles can be calculated directly from the integral parameters. Thus the data plotting, curve fitting, and slope measuring, which is the normal technique of obtaining experimental N values, is eliminated. The N values obtained by this method should be within the accuracy with which they could be measured.

Allen, J. M.↗

COMOC: Three dimensional boundary region variant, programmer's manual

The three-dimensional boundary region variant of the COMOC computer program system solves the partial differential equation system governing certain three-dimensional flows of a viscous, heat conducting, multiple-species, compressible fluid including combustion. The solution is established in physical variables, using a finite element algorithm for the boundary value portion of the problem description in combination with an explicit marching technique for the initial value character. The computational lattice may be arbitrarily nonregular, and boundary condition constraints are readily applied. The theoretical foundation of the algorithm, a detailed description on the construction and operation of the program, and instructions on utilization of the many features of the code are presented.

Orzechowski, J. A.↗

On the computational cost of approximating and recognizing noise-perturbed straight lines and quadratic arcs in the plane

Recognition of underlying straight lines and quadratic arcs in line drawings, and approximation of very noisy data by such line/curve segments, is addressed as a subproblem of the more general problem of optimum recognition of complicated line/curve drawings. Some specific algorithms are presented with extensions and interpretations for more complicated applications, and a data generation model is developed for the problem. Data are generated as a perturbation of a single underlying straight line or an elliptic or hyperbolic arc. Recursive estimation techniques, minimization of central processing unit time, decision making with controlled error probabilities, and modeling and recognition of pictures consisting of noisy curves are dealt with. Applications envisaged include: picture data compression, contour line representation in maps, intelligent data searches, and ballistic missile decoy tracking.

Cooper, D. B.↗

Optimum design of laminated plates under axial compression

The paper presents a method for designing laminated plates with orthotropic layers under uniaxial and biaxial compression. The objective is to find the fiber direction of all the layers that give the highest buckling stress; therefore, it is necessary to solve an unconstrained maximization problem. The optimization technique used is Powell's conjugate direction method. Numerical calculations were made for plates with three, four, and six layers.

Hirano, Y.↗

Solution of plane cascade flow using improved surface singularity methods

A solution method was developed for calculating compressible inviscid flow through a linear cascade of arbitrary blade shapes. The method uses advanced surface singularity formulations which were adapted from those in current external flow analyses. The resulting solution technique provides a fast flexible calculation for flows through turbomachinery blade rows. The solution method and some examples of the method's capabilities are presented.

Mcfarland, E. R.↗

Extended frequency turbofan model

The fan model was developed using two dimensional modeling techniques to add dynamic radial coupling between the core stream and the bypass stream of the fan. When incorporated into a complete TF-30 engine simulation, the fan model greatly improved compression system frequency response to planar inlet pressure disturbances up to 100 Hz. The improved simulation also matched engine stability limits at 15 Hz, whereas the one dimensional fan model required twice the inlet pressure amplitude to stall the simulation. With verification of the two dimensional fan model, this program formulated a high frequency F-100(3) engine simulation using row by row compression system characteristics. In addition to the F-100(3) remote splitter fan, the program modified the model fan characteristics to simulate a proximate splitter version of the F-100(3) engine.

Mason, J. R.↗

The method of complex characteristics for transonic airfoil design, with an application to compressors

The use of mathematical models to study physical problems of current interest to aeronautical engineers has been made possible by the development of numerical techniques to compute solutions of the differential equations of transonic aerodynamics. These advances have encouraged the improvement of supercritical wing technology. A method to determined steady, shockless flow of an inviscid, compressible fluid past a cascade of airfoils in the (x,y)-plane is considered, taking into account also the case of an isolated airfoil. The method of complex characteristics solves the equations in the hodograph plane by extending all variables into the complex domain, where the notion of type is no longer significant. Attention is given to the mathematical background, the method of complex characteristics, and numerical calculations.

Bledsoe, M.↗

Quantitative measurement of transverse injector and free stream interaction in a nonreacting SCRAMJET combustor using laser-induced iodine fluorescence

A preliminary quantitative study of the compressible flowfield in a steady, nonreacting model SCRAMJET combustor using laser-induced iodine fluorescence (LIIF) is reported. Measurements of density, temperature, and velocity were conducted with the calibrated, nonintrusive, optical technique for two different combustor operating conditions. First, measurements were made in the supersonic flow over a rearward-facing step without transverse injection for comparison with calculated pressure profiles. The second configuration was staged injection behind the rearward-facing step at an injection dynamic pressure ratio of 1.06. These experimental results will be used to validate computational fluid dynamic (CFD) codes being developed to model supersonic combustor flowfields.

Fletcher, D. G.↗