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At least 271 records · Page 15

Monte Carlo prediction of radiative heat transfer in inhomogeneous, anisotropic, nongray media

A Monte Carlo solution technique has been formulated to predict the radiative heat transfer in three-dimensional, inhomogeneous participating media which exhibit spectrally dependent emission and absorption and anisotropic scattering. Details of the technique and selected numerical sensitivities are discussed. The technique was applied to a problem involving a medium composed of a gas mixture of carbon dioxide and nitrogen and suspended carbon particles. A homogeneous medium was modeled to examine the effect of total pressure and carbon-particle concentration on radiative heat transfer. Variation in total pressure, over the range studied, had minimal effect on the amount of heat radiated to the enclosure walls and on the radiative-flux distribution within the medium. Increases in the carbon particle concentration produced significantly higher heat fluxes at the boundaries and altered the radiative flux distribution. The technique was then applied to an inhomogeneous medium to examine effects of specific temperature and carbon particle concentration distributions on radiative heat transfer. For the inhomogeneous conditions examined, the largest radiative flux divergence occurs near the center of the medium and the regions near some enclosure walls act as energy sinks.

HEAT FLUXES↗

Diffuse scattering from dynamically compressed single-crystal zirconium following the pressure-induced α → ω phase transition

The prototypical α → ω phase transition in zirconium is an ideal test bed for our understanding of polymorphism under extreme loading conditions. After half a century of study, a consensus had emerged that the transition is realized via one of two distinct displacive mechanisms, depending on the nature of the compression path. However, recent dynamic-compression experiments equipped with diffraction diagnostics performed in the past few years have revealed new transition mechanisms, demonstrating that our understanding of the underlying atomistic dynamics and transition kinetics is in fact far from complete. We present classical molecular dynamics simulations of the α → ω phase transition in single-crystal zirconium shock compressed along the [0001] axis using a machine-learning-class potential. The transition is predicted to proceed primarily via a modified version of the two-stage Usikov-Zilberstein mechanism, whereby the high-pressure ω phase heterogeneously nucleates at boundaries between grains of an intermediate β phase. We further observe the fomentation of atomistic disorder at the junctions between β grains, leading to the formation of highly defective interstitial material between the ω grains. We directly compare synthetic x-ray diffraction patterns generated from our simulations with those obtained using femtosecond diffraction in recent dynamic-compression experiments, and show that the simulations produce the same unique, anisotropic diffuse scattering signal unlike any previously seen from an elemental metal. Our simulations suggest that the diffuse signal arises from a combination of thermal diffuse scattering, nanoparticlelike scattering from residual kinetically stabilized α and β grains, and scattering from interstitial defective structures. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗

Effect of anisotropic thermal transport on tearing mode stability in negative versus positive triangularity plasmas

The combined effects of anisotropic thermal transport and the plasma shaping, including negative triangularity, on the n = 1 (n is the toroidal mode number) tearing mode (TM) stability are numerically investigated utilizing the MARS-F code [Liu et al., Phys. Plasmas 7, 3681–3690 (2000)]. While varying the plasma boundary triangularity, the TM stability is found to be dictated by the competing effects of the Shafranov shift induced stabilization and the bad-curvature induced destabilization. The negative triangularity shape increases the Shafranov shift (stabilizing) in the plasma core but also enlarges bad-curvature regions (destabilizing) near the plasma edge, with the net effect being largely destabilizing for the TM as compared to the positive triangularity counter-part. Large negative triangularity however can also lead to more stabilization for the plasma core-localized TM. Anisotropic thermal transport reduces the stabilizing effect on the TM associated with the favorable averaged curvature, resulting in more unstable core-localized TMs in both negative and positive triangularity plasmas. But the opposite effect can also take place for the edge-localized TM in finite-pressure plasmas with negative triangularity.

Physics↗

Strength, deformation, and equation of state of tungsten carbide to 66 GPa

Here, strength, texture, and equation of state of hexagonal tungsten monocarbide (WC) have been determined under quasi-hydrostatic and non-hydrostatic compression to 66 GPa using angle-dispersive X-ray diffraction in the diamond anvil cell. Quasi-hydrostatic compression in a Ne pressure medium demonstrates that nanocrystalline WC is slightly less incompressible than bulk-scale WC, with respective bulk moduli of K 0 = 377 ± 7 and 397 ± 7 GPa and pressure derivatives K 0 ’ = 3.8 ± 0.3 and 3.7 ±0.3. This decrease in incompressibility with grain size is similar to behavior observed in other ceramics. Under nonhydrostatic compression, WC supports a mean differential stress of ~12-15 GPa at plastic yielding, which occurs at ~30 GPa. Strength in WC is anisotropic, with the (001) plane supporting 29-42% higher stress than stresses calculated from mean strain. Simulations using an Elasto-ViscoPlastic Self-Consistent model indicate that strength inferred from lattice strain theory may be overestimated due to effects of plastic deformation. Plastic deformation generates a texture maximum near $\langle\bar{2}110\rangle$ in the compression orientation, initially through prismatic slip on the {$10\bar{1}0$}$\langle\bar{1}2\bar{1}0\rangle$ and {$10\bar{1}0$}$\langle0001\rangle$ slip systems, followed by activation of pyramidal slip on {$10\bar{1}1$}$\langle\bar{2}113\rangle$ at ~40-50 GPa.

36 MATERIALS SCIENCE↗

Investigation of the High-Pressure Behaviors of Amblygonite by Single-Crystal X-ray Diffraction, Raman Spectroscopy, and DFT Calculations

In the present study, we extensively explored the high-pressure behaviors and vibrational properties of amblygonite LiAlPO 4 F with elevated pressures up to 34.3 GPa based on single-crystal X-ray diffraction measurements, Raman spectroscopy, and DFT calculations. The compressibility and elastic properties of amblygonite were determined first. Specifically, the obtained isothermal bulk modulus of LiAlPO 4 F is 128(4) GPa and the triclinic phase exhibited anisotropic compression with axial compressibility β c > β a > β b with a ratio of 1.11:1.00:1.20. The Raman spectra showed no indication of phase transformation and were used to obtained mode Grüneisen parameters. The average Grüneisen parameter for PO 4 tetrahedral sites was smaller than for the LiO 4 F sites. Our results provide new insights into the phase stability and elastic properties of lithium-fluorite granites at extreme conditions.

36 MATERIALS SCIENCE↗

Application of Parallel Adjoint-Based Error Estimation and Anisotropic Grid Adaptation for Three-Dimensional Aerospace Configurations

This paper demonstrates the extension of error estimation and adaptation methods to parallel computations enabling larger, more realistic aerospace applications and the quantification of discretization errors for complex 3-D solutions. Results were shown for an inviscid sonic-boom prediction about a double-cone configuration and a wing/body segmented leading edge (SLE) configuration where the output function of the adjoint was pressure integrated over a part of the cylinder in the near field. After multiple cycles of error estimation and surface/field adaptation, a significant improvement in the inviscid solution for the sonic boom signature of the double cone was observed. Although the double-cone adaptation was initiated from a very coarse mesh, the near-field pressure signature from the final adapted mesh compared very well with the wind-tunnel data which illustrates that the adjoint-based error estimation and adaptation process requires no a priori refinement of the mesh. Similarly, the near-field pressure signature for the SLE wing/body sonic boom configuration showed a significant improvement from the initial coarse mesh to the final adapted mesh in comparison with the wind tunnel results. Error estimation and field adaptation results were also presented for the viscous transonic drag prediction of the DLR-F6 wing/body configuration, and results were compared to a series of globally refined meshes. Two of these globally refined meshes were used as a starting point for the error estimation and field-adaptation process where the output function for the adjoint was the total drag. The field-adapted results showed an improvement in the prediction of the drag in comparison with the finest globally refined mesh and a reduction in the estimate of the remaining drag error. The adjoint-based adaptation parameter showed a need for increased resolution in the surface of the wing/body as well as a need for wake resolution downstream of the fuselage and wing trailing edge in order to achieve the requested drag tolerance. Although further adaptation was required to meet the requested tolerance, no further cycles were computed in order to avoid large discrepancies between the surface mesh spacing and the refined field spacing.

Lee-Rausch, E. M.↗

Finite-element analysis of vibration and flutter of cantilever anisotropic plates

The hybrid stress finite element method is used to study the effects of filament angle and orthotropicity parameter on the vibration and flutter characteristics of cantilevered anisotropic plates. The results indicate a generally strong lack of monotonic dependence on filament angle. Also, the natural frequency in certain cases involving the first few modes, can become relatively insensitive to both filament angle and orthotropicity parameter for a range of filament angle beyond 70 deg. Values of critical dynamic pressure are obtained by a modal approach, in which the mode shapes are obtained by the hybrid stress method. Convergence of the modal method is rather rapid for the configurations analyzed, and a comparison of the method with an exact solution for the case of an isotropic simply supported plate shows that use of six modes gives excellent agreement.

Rossettos, J. N.↗

Anisotropic elastoplastic response of double-porosity media

Here we present a continuum framework to simulate fluid flow through anisotropic elastoplastic media with double porosity. Two effective stress measures σ' and δ" emerge from the thermodynamic formulation, which are energy-conjugate to the elastic and plastic components of strain, respectively. Both effective stress measures can be expressed as a combination of the total Cauchy stress σ and the average pore pressure $\bar{p}$ in the two pore scales. In the effective stress for elasticity, $\bar{p}$ is scaled with a rank-2 Biot tensor, whereas the effective stress for plasticity follows the Terzaghi form in which $\bar{p}$ is scaled by the Kronecker delta. The Biot tensor and storage coefficients are derived as functions of elasticity parameters and porosities. A mixed finite element formulation is introduced to discretize the domain and solve initial boundary-value problems. A stabilization scheme is employed on equal-order interpolation for both displacement and pressure fields throughout the entire range of drainage responses. Numerical simulations reproduce the hydromechanical response of Opalinus shale in one-dimensional consolidation tests throughout the range of primary and secondary consolidation under different external loads. Numerical simulations of the consolidation of a rectangular domain subjected to a strip load demonstrate the efficacy of the proposed stabilization scheme, as well as illustrate the impacts of stress history, mass transfer, and different pore systems on the hydromechanical response.

42 ENGINEERING↗

Elastic-instability–enabled locomotion

Locomotion of an organism interacting with an environment is the consequence of a symmetry-breaking action in space-time. Here we show a minimal instantiation of this principle using a thin circular sheet, actuated symmetrically by a pneumatic source, using pressure to change shape nonlinearly via a spontaneous buckling instability. This leads to a polarized, bilaterally symmetric cone that can walk on land and swim in water. In either mode of locomotion, the emergence of shape asymmetry in the sheet leads to an asymmetric interaction with the environment that generates movement––via anisotropic friction on land, and via directed inertial forces in water. Scaling laws for the speed of the sheet of the actuator as a function of its size, shape, and the frequency of actuation are consistent with our observations. The presence of easily controllable reversible modes of buckling deformation further allows for a change in the direction of locomotion in open arenas and the ability to squeeze through confined environments––both of which we demonstrate using simple experiments. Our simple approach of harnessing elastic instabilities in soft structures to drive locomotion enables the design of novel shape-changing robots and other bioinspired machines at multiple scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Generation of Pc 1 waves by the ion temperature anisotropy associated with fast shocks caused by sudden impulses

The high correlation of Pc 1 events with magnetospheric compressions is known. A mechanism is proposed which leads to the generation of Pc 1 waves. The interaction of a dynamic pressure pulse with the earth's bow shock leads to the formation of a weak fast-mode shock propagating into the magnetoshealth. The shock wave can pass right through a tangential discontinuity (magnetopause) and into the magnetosphere, without disturbing either of the structures. In a quasiperpendicular geometry, the shock wave exhibits anisotropic heating. This anisotropy drives unstable ion-cyclotron waves which can contribute to the generation of the Pc 1 waves which are detected. The viability of the mechanism is demonstrated with simulations. This mechanism could explain the peak in the occurrence of observed Pc 1 waves in the postnoon sector where a field-aligned discontinuity in the solar wind would most often be parallel to the magnetopause surface due to the average Parker-spiral magnetic-field configuration.

Mandt, M. E.↗

Process for Smoothing an Si Substrate after Etching of SiO2

A reactive-ion etching (RIE) process for smoothing a silicon substrate has been devised. The process is especially useful for smoothing those silicon areas that have been exposed by etching a pattern of holes in a layer of silicon dioxide that covers the substrate. Applications in which one could utilize smooth silicon surfaces like those produced by this process include fabrication of optical waveguides, epitaxial deposition of silicon on selected areas of silicon substrates, and preparation of silicon substrates for deposition of adherent metal layers. During etching away of a layer of SiO2 that covers an Si substrate, a polymer becomes deposited on the substrate, and the substrate surface becomes rough (roughness height approximately equal to 50 nm) as a result of over-etching or of deposition of the polymer. While it is possible to smooth a silicon substrate by wet chemical etching, the undesired consequences of wet chemical etching can include compromising the integrity of the SiO2 sidewalls and undercutting of the adjacent areas of the silicon dioxide that are meant to be left intact. The present RIE process results in anisotropic etching that removes the polymer and reduces height of roughness of the silicon substrate to less than 10 nm while leaving the SiO2 sidewalls intact and vertical. Control over substrate versus sidewall etching (in particular, preferential etching of the substrate) is achieved through selection of process parameters, including gas flow, power, and pressure. Such control is not uniformly and repeatably achievable in wet chemical etching. The recipe for the present RIE process is the following: Etch 1 - A mixture of CF4 and O2 gases flowing at rates of 25 to 75 and 75 to 125 standard cubic centimeters per minute (stdcm3/min), respectively; power between 44 and 55 W; and pressure between 45 and 55 mtorr (between 6.0 and 7.3 Pa). The etch rate lies between approximately equal to 3 and approximately equal to 6 nm/minute. Etch 2 - O2 gas flowing at 75 to 125 stdcm3/min, power between 44 and 55 W, and pressure between 50 and 100 mtorr (between 6.7 and 13.3 Pa).

Turner, Tasha↗

Large-scale variations of thermal electron parameters in the solar wind between 0.3 and 1 AU

Variations of thermal electron parameters in the solar wind are studied at heliocentric distances from 0.3 to 1 AU using Helios data from 1974 to spring 1976 just before solar minimum. Consideration is given to variations across plasma streams and across the sector structure of the IMF. It is found that, in high-speed streams in the interior of magnetic sectors, the electron temperatures are relatively low and strongly anisotropic. The electron temperatures become larger and less anisotropic toward sector boundaries in the slow solar wind. Radial gradients for the thermal electron parameters and polytrope indices for the core temperatures and electron temperatures are studied. Evidence is presented that the electrons in high-speed streams are heated by external heat sources. Interplanetary electrostatic potential differences caused by the thermal electron pressure gradients are estimated to be between 30 and 90 V.

Pilipp, W. G.↗

Superstructure magnetic anisotropy in Fe 3 O 4 nanoparticle chains

Magnetic anisotropy is essential for many applications of ferromagnetic/ferrimagnetic materials, including permanent magnets and magnetic recording media. Attempts have been made recently to build up 3-D nanoparticle and quantum dot assemblies, however, it is not understood yet if a nanoparticle assembly can possess high magnetic anisotropy with low anisotropic materials. In this article, we report our discovery of high magnetic anisotropy resulted from Fe 3 O 4 nanoparticle chains. We started with closely-packed nanoparticle assemblies of spherical Fe 3 O 4 nanoparticles that exhibit low magnetocrystalline anisotropy and shape anisotropy, and corresponding negligible coercivity. When the nanoparticle assemblies are compressed under pressure, they form bundles or arrays that consist of Fe 3 O 4 chains with a length scale of several hundred nanometers. Magnetic measurements show that these Fe 3 O 4 chain arrays possess a high uniaxial magnetic anisotropy (K eff ~ 2.9×10 5 J/m 3 ) and significant magnetic coercivity. Our simulations reveal that interparticle magnetic dipolar interactions contribute to this type of superstructure magnetic anisotropy. This study demonstrates the feasibility and approaches to create “patterned” high magnetic anisotropy in nanoparticle superstructures/assemblies.

Mohapatra, Jeotikanta (ORCID:0000000151968626)↗

The emergence of valency in colloidal crystals through electron equivalents

Colloidal crystal engineering of complex, low-symmetry architectures is challenging when isotropic building blocks are assembled. In this study we describe an approach to generating such structures based upon programmable atom equivalents (nanoparticles functionalized with many DNA strands) and mobile electron equivalents (small particles functionalized with a low number of DNA strands complementary to the programmable atom equivalents). Under appropriate conditions, the spatial distribution of the electron equivalents breaks the symmetry of isotropic programmable atom equivalents, akin to the anisotropic distribution of valence electrons or coordination sites around a metal atom, leading to a set of well-defined coordination geometries and access to three new low-symmetry crystalline phases. All three phases represent the first examples of colloidal crystals, with two of them having elemental analogues (body-centred tetragonal and high-pressure gallium), while the third (triple double-gyroid structure) has no known natural equivalent. This approach enables the creation of complex, low-symmetry colloidal crystals that might find use in various technologies.

36 MATERIALS SCIENCE↗

Electronic and optical properties of crystalline nitrogen versus black phosphorus: A comparative first-principles study

We report crystalline black nitrogen (BN) is an allotrope of nitrogen with the black phosphorus (BP) structure recently synthesized at high pressure by two independent research groups. Here, we present a systematic study of the electronic and optical properties of BN focusing on its comparison with BP. To this end, we use the state-of-the-art quasiparticle self-consistent GW approach with vertex corrections in both the electronic and optical channels. Despite many similarities, the properties of BN are found to be considerably different. Unlike BP, BN exhibits a larger optical gap (2.5 vs 0.26 eV), making BN transparent in the visible spectral region with a highly anisotropic optical response. This difference can be primarily attributed to a considerably reduced dielectric screening in BN, leading to enhancement of the effective Coulomb interaction. Despite relatively strong Coulomb interaction, exciton formation is largely suppressed in both materials. Our analysis of the elastic properties shows exceptionally high stiffness of BN, comparable to that of diamond.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Solar and interplanetary control of the location of the Venus bow shock

The Venus bow shock location has been measured at nearly 2000 shock crossings, and its dependence on solar EUV, solar wind conditions, and the interplanetary magnetic field determined. The shock position at the terminator varies from about 2.14 Venus radii at solar minimum to 2.40 Venus radii at solar maximum. The location of the shock varies little with solar wind dynamic pressure but strongly with solar wind Mach number. The shock is farthest from Venus on the side of the planet in which newly created ions gyrate away from the ionosphere. When the interplanetary magnetic field is perpendicular to the flow, the cross section of the shock is quite elliptical. This effect appears to be due to the anisotropic propagation of the fast magnetosonic wave. When the interplanetary magnetic field is aligned with the flow, the bow shock cross section is circular and only weakly sensitive to changing EUV flux.

Russell, C. T.↗

The effects of rotation on initially anisotropic homogeneous flows

Rotation of initially anisotropic homogeneous flows is studied using a model spectral tensor. It is shown that the anisotropy changes because of the influence of rotation through phase scrambling. Phase scrambling causes the Reynolds stresses to develop with damped oscillations. The final Reynolds stress anisotropy is found to be proportional to the initial structural tensor anisotropy. Closure models for the rapid pressure strain terms should reflect this change in anisotropy, and should drive the anisotropy to reach its final predicted state. Finally, it is shown that long-time integration using direct numerical simulations should be treated with care because phase scrambling effects on a discrete wave space can cause loss of resolution when time becomes large.

Mansour, Nagi N.↗

A Dynamic Nonlinear Subgrid-Scale Model for Large-Eddy Simulation of Complex Turbulent Flows

We present a new dynamic nonlinear subgrid-scale (SGS) model for large-eddy simulations (LES) and apply it to compute a flow involving pressure gradients, surface curvature and separation, for which data from a direct numerical simulation are available for comparison. The model, inspired by the triple model idea of Bardina et al. (“Improved Turbulence Models Based on Large Eddy Simulation of Homogeneous, Incompressible, Turbulent Flows,” Report No. TF-19, Thermosciences Division, Department of Mechanical Engineering, Stanford University, 1983), includes a Galilean-invariant term called the modified Leonard stress tensor, and two nonlinear terms comprised of the products of the strain-rate and rotation-rate tensors for an improved representation of the subgrid-scale dissipation, backscatter and anisotropy effects. The model does not employ any ad hoc averaging or clipping procedures, and does not require the specification of a characteristic length scale; hence, it naturally avoids the ambiguities associated with defining a proper length scale for anisotropic grids. Results from the wall-resolved LES of flow past a Gaussian bump using the new model demonstrate improved prediction of skin-friction, flow separation, mean flow profiles and turbulent quantities when compared to implicit LES as well as explicit LES using the Vreman SGS model on the same grid.

Turbulence↗