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At least 217 records · Page 12

Review—Drag Coefficients of Non-Spherical and Irregularly Shaped Particles

Abstract The knowledge of simple and relatively accurate closure equations for the drag coefficients of nonspherical particles is very important for Eulerian multiphase numerical codes that require such inputs for the solution of the momentum equation. However, the existing correlations for the drag coefficients are laden with high uncertainty, which propagates in the numerical results. This review paper examines critically the state of our knowledge of the drag coefficients of nonspherical particles starting with our understanding of the “size” and “shape” of particles. Lengthscales and other parameters that have been used to characterize sizes of nonspherical particles are presented. Shape factors and shape descriptors that have been used in past correlations are also presented together with an appraisal of their applicability. Several correlations that have been developed for the determination of the drag coefficients of nonspherical particles with regular and irregular shapes are also presented together with available information on their accuracy and applicability. Based on the review of the available correlations general recommendations are offered on the use of the correlations as closure equations and inputs in computatioal fluid dynamics (CFD) codes.

Engineering↗

Practical guide to understanding goodness-of-fit metrics used in chemical state modeling of x-ray photoelectron spectroscopy data by synthetic line shapes using nylon as an example

Chemical state analysis of a sample surface through fitting bell-shaped curves to x-ray photoelectron spectroscopic polymer data is reviewed using nylon to introduce and discuss aspects of data analysis. Different strategies for modeling chemistry in nylon spectra are presented and in so doing, a case is made to include in published science the design logic and implementation in terms of line shapes and optimization parameter constraints between components in a peak model. Imperfections in line shape relative to the true shape for photoemission lines, when compensated for using constraints to optimization parameters, are shown to provide chemical state information about a sample that justify, for peak models constructed with these limitations, metrics for goodness-of-fit different from those expected for pulse-counted data.

Materials Science↗

Shape tuning of large area silicon nanotip arrays through reactive ion etching

Nanostructures formed in silicon form an important class of structures that span a broad spectrum of application areas. Of these, columnar structures of silicon featuring tiplike apexes have their own niche applications. Here, the ability to afford shape tunability for these structures further enhances their application potential. In this paper, we present our findings on the large area fabrication of silicon nanotips defined through microsphere lithography and shape tuned through a combination of different reactive ion etching (RIE) techniques. The self-sharpening mechanism of the tips when using nonplanar etch masks (microspheres) under anisotropic etching conditions is elucidated. We further show that depending on the manner of etching (continuous versus discrete multistep etch), identical anisotropic etching recipes produce vastly different tip morphologies. Hourglass-shaped silicon tips were obtained when silicon was subjected to anisotropic followed by isotropic etching conditions. Sharp silicon tips with tip apex radii on the order of 2 nm have been successfully realized when the RIE shape tuned tips were subjected to a series of oxidative sharpening steps.

74 ATOMIC AND MOLECULAR PHYSICS↗

Space-tiled colloidal crystals from DNA-forced shape-complementary polyhedra pairing

Generating space-filling arrangements of most discrete polyhedra nanostructures of the same shape is not possible. However, if the appropriate individual building blocks are selected (e.g., cubes), or multiple shapes of the appropriate dimensions are matched (e.g., octahedra and tetrahedra) and their pairing interactions are subsequently forced, space-filled architectures may be possible. With flexible molecular ligands (polyethylene glycol–modified DNA), the shape of a polyhedral nanoparticle can be deliberately altered and used to realize geometries that favor space tessellation. In this work, 10 new colloidal crystals were synthesized from DNA-modified nanocrystal building blocks that differed in shapes and sizes, designed to form space-filling architectures with micron-scale dimensions. The insights and capabilities provided by this new strategy substantially expand the scope of colloidal crystals possible and provide an expanded tool kit for researchers interested in designing metamaterials.

Science & Technology - Other Topics↗

Ultrashort Laser Pulse Shaping and Characterization for Tailored Electron Bunch Generation

Temporally shaped laser pulses are desirable in various applications including emittance reduction and beam-driven acceleration. Pulse shaping techniques enable flexible controls over the longitudinal distribution of electron bunches emitted from the photocathode. While direct manipulation and measurement of an ultrashort pulse can be challenging in the time domain, both actions can be performed in the frequency domain. In this paper, we report the study and development of laser shaper and diagnostics at Argonne Wakefield Accelerator (AWA). Simulations of the shaping process for several sought-after shapes are presented along with the temporal diagnosis. Status of the experiment at the AWA facility is also discussed.

43 PARTICLE ACCELERATORS↗

Techno-Economic Analysis for Shear Assisted Processing and Extrusion (ShAPE) of High Strength Aluminum Alloys

Aluminum alloy 7075 (AA7075) is a high strength aluminum alloy (HSAL), attractive for applications such as automotive, aviation, aerospace, defense, and marine applications. However, AA7075 has not yet been widely adopted due slow extrusion speed, high energy use, narrow process window, and sensitivity to incipient melting common in conventional extrusion methods. Alternative extrusion methods may overcome these limitations. New research funded by the U.S. Department of Energy (DOE) Advanced Manufacturing Office (AMO) is exploring the use of a new SPP approach called Shear Assisted Processing and Extrusion (ShAPE) for the manufacture of AA7075 extrusions. Pacific Northwest National Laboratory (PNNL) are leading the development, testing and characterization of ShAPE, which is showing that high speed ShAPE extrusions (e.g., above 12 meters/min) which is significantly faster than the 1-2 meters/min possible with conventional AA7075 extrusions. Initial findings from the economic and energy analysis indicate that AA7075 tubes created with ShAPE use less energy than tubes that are conventionally heated and extruded. The reduction in energy use is primarily a result of using direct chill cast (non-homogenized) billets, eliminating the pre-heating step, and faster extrusion speeds. The TEA model translates CAPEX and O&M costs to a manufacturing cost, and then a minimum sustainable price (MSP) per ton of extruded product for multiple facility capacities. A sample output figure of the TEA model is presented below. It presents results of the preliminary version of the TEA model.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Hot rolling of ZK60 magnesium sheet with isotropic tensile properties from tubing made by Shear Assisted Processing and Extrusion (ShAPE)

In order to evaluate the viability of ShAPE processed Mg alloys as a feedstock for fabricating lightweight sheet material, tubes consisting of ShAPE-extruded Mg alloy ZK60 were flattened into plates and hot rolled at 450 °C to reductions of 37%, 68%, and 93%. The mechanical properties and microstructure of the rolled material were characterized through tensile testing and electron backscattered diffraction (EBSD). ZK60 specimens rolled to 68% reduction had tensile properties similar to published properties of rolled ZK60 sheets fabricated using conventional processes, and exhibited negligible tensile anisotropy referenced to the rolling direction. Additional rolling from 68% to 93% reduced the ultimate tensile stress in the rolling direction from 341.74±5.96 MPa to 260.76±22.4MPa. The yield stress and elongation to failure of the material also decreased from 292.16±1.11 MPa to 256.93±18.4 MPa and 6.95±1.94% to 3.38±0.51%, respectively, but negligible little anisotropy was observed with respect to loading direction. EBSD mapping indicated that the as-extruded ZK60 had texture rotated away from the basal direction which developed into a strong basal texture over numerous hot rolling steps. This evolution in texture has been observed after rolling for hot-rolled ZK60 fabricated through conventional extrusion processes. The initial grain structure was found to have experienced noticeable twinning from flattening the tube into plate. After hot rolling, the grain structure became more equiaxed, but the average grain diameter did not change appreciably from 5.15 ± 3.39 µm in the ShAPE extruded material, to 5.27 ± 12.44 µm in the 93% hot rolled sheet. This response to hot rolling is similar to the response of ZK60 fabricated using other methods such as Equal Channel Angular Processing (ECAP). Therefore, this work demonstrates ShAPE has the potential as an alternative method to producing feedstock for Mg alloy sheets. Modifications to the experimental procedure which could lead to improvements in observed properties are briefly discussed.

36 MATERIALS SCIENCE↗

Evaluating pulse-shaping capabilities of next-generation pulsed power architectures

This project evaluated the pulse shaping capabilities of next-generation pulsed power (NGPP) architectures. NGPP architectures share several common attributes including multiple independent pulse-generation lines, a radial water-insulated impedance transformer, and a central vacuum insulated load region. A multi-module circuit model was developed, incorporating independent pulse-generation lines and a 2-D transmission line mesh of the radial impedance transformer to assess the effects of azimuthal asymmetry in pulse-shaped experiments. Circuit model simulations demonstrated that NGPP architectures are able to produce the the desired current pulse shapes for exemplar NGPP experiments. Additionally, the project explored automated methods for experiment design, including derivative -ree optimization and machine learning. Pulse-shaped experiments require designers to determine machine parameters that reliably produce the desired current pulse at the load, a process that typically relies on expert knowledge and iterative adjustments using the Z circuit model. Given the increased complexity of NGPP systems, this manual approach may be impractical. While the evaluated methods do not eliminate the need for manual iteration, they can reduce the time required for experiment design. Derivative-free optimization automates much of the trial-and-error process, providing a close starting point for manual adjustments or making small modifications to near-final designs. Meanwhile, deep neural network methods can generate a good qualitative match to the desired current pulse in under one second without requiring circuit model simulations.

42 ENGINEERING↗

Shape-Selective Mesoscale Nanoarchitectures: Preparation and Photocatalytic Performance

We create ordered arrays of shape-selective gold-titania composite nanomaterials at the mesoscale (100 µm to 5 mm) by a combination of both bottom-up and top-down approaches for exquisite control of the size, shape, and arrangement of nanomaterials. Lithographic techniques along with wet chemical synthetic methods were combined to create these composite nanomaterials. The photocatalytic activity of these TiO 2, TiO 2 -Au and SiO 2 -TiO 2 -Au nano-composite mesoscale materials was monitored by the photodegradation of a model analyte, methyl orange, under UV and visible (Vis) illumination. Bare TiO 2 - and SiO 2 -TiO 2 -coated pillar arrays showed significant activity toward methyl orange in UV light with degradation rates on the order of 10 −4 –10 −3 min −1 . The photocatalytic activity of these arrays was also found to depend on the nanoparticle shape, in which particles with more edges and corners were found to be more reactive than spherical particles (i.e., the photocatalytic activity decreased as follows: diamonds > squares > triangles > spheres). SiO 2 -TiO 2 -Au nano-composite pillar arrays were tested in both UV and Vis light and showed increased activity in Vis light but decreased activity in UV light as compared to the bare semiconductor arrays. Additionally, the Au nanorod-functionalized nanoarrays exhibit a strong shape-dependence in their photocatalytic activity toward methyl orange degradation in Vis light.

36 MATERIALS SCIENCE↗

Visualizing How the Structure of Large-Radius Jets Shapes Their Wakes

The ATLAS collaboration has introduced and implemented a strategy for selecting and analyzing large-radius jets composed of skinny $R=0.2$ subjets in heavy ion collisions at the LHC. We show how measurements of these jets teach us about the resolution length $L_{\rm res}$ of quark-gluon plasma (QGP) and can teach us how jet substructure shapes the wakes that jets excite in the QGP droplets through which they pass. We use Hybrid Model calculations to reproduce measurements of $R_{AA}$ for large-radius jets in PbPb collisions, and study their dependence on the angle between the two skinny subjets involved in the final reclustering step of an $R=1$ jet. We show how these observables can constrain the value of $L_{\rm res}$ and demonstrate that the ATLAS data rule out any picture in which an entire parton shower loses energy coherently as if it were a single entity. Determining the degree to which the QGP can resolve partons within a jet is central to the broader program of using jet quenching measurements to probe QGP. We make further use of this setup by analyzing the response of the medium to the passage of large-radius $R=2$ jets containing two skinny subjets in gamma-jet events. We introduce novel jet-shape observables that allow us to visualize the angular shape of the soft hadrons originating from the wakes that wide jets with two skinny subjets excite in a droplet of QGP, as a function of the angular separation between the subjets. We find that even when they are $\sim 0.8- 1$ radian apart, a single broad wake is produced. Only when the two subjets are even farther apart is the presence of two sub-wakes revealed. We show that the way in which jet structure shapes jet wakes can be visualized with similar clarity in experiments by using only those hadrons with low $p_T$. These observables thus offer a new and distinctive way of seeing jet wakes in heavy ion collision data.

FOS: Physical sciences↗

New Extrusion Method is Taking ShAPE

PNNL’s patented Shear Assisted Processing and Extrusion (ShAPE™) includes a novel extrusion machine, tooling, and associated processing techniques that delivers high-performance metal alloys for a wide range of market needs. ShAPE is a technique for manufacturing wire, bar, and tubular extrusions with unprecedented properties and manufacturing advantages compared to conventional extrusion. In a single step, ShAPE extrudes metal powder, flake, chip, and ingot directly into products with properties that cannot be achieved by conventional means. ShAPE delivers better products, because it uniquely mixes and deforms the metal feedstocks in their solid form without melting them, dramatically improving product properties and the energy efficiency of production.

Joshi, Vineet V.↗

Triaxiality and shape dynamics in 70 Ge

The electromagnetic properties of low-lying states in 70 Ge were investigated via multi-step Coulomb excitation of a 70 Ge beam impinging on a 208 Pb target at the ATLAS facility of the Argonne National Laboratory. A total of 27 transitional elements and six diagonal matrix elements coupling 11 low-lying states, were extracted from the measured cross sections. These were used to calculate reduced transition probabilities, spectroscopic quadrupole moments, and rotational invariant shape parameters, providing enhanced precision and expanding on previous studies. The experimental data were compared within several theoretical frameworks, including the generalized triaxial rotor model, configuration interaction shell-model calculations, and computations within the combined frameworks of relativistic density functional theory and the five-dimensional collective Hamiltonian. The results demonstrate a good agreement with the experimental data and, in conjunction with calculations using a two-state mixing model, support significant triaxiality and strong mixing between the 0$^{+}_{1}$ and 0$^{+}_{2}$ states. This results in the magnitudes of their respective quadrupole deformations [β rms (0$^{+}_{1}$) = 0.228 (3), β rms (0$^{+}_{2}$) = 0.273 (1)] being more similar than previously observed. Furthermore, the implications of these results for understanding the complex shape coexistence phenomena, the role of triaxiality, and shape evolution along the Ge isotopic chain are discussed.

59 ≤ A ≤ 89↗

External-Field-Induced Phase Transformation and Associated Properties in a Ni 50 Mn 34 Fe 3 In 13 Metamagnetic Shape Memory Wire

Metamagnetic shape memory alloys exhibit a series of intriguing multifunctional properties and have great potential for applications in magnetic actuation, sensing and magnetic refrigeration. However, the poor mechanical properties of these alloys with hardly any tensile deformability seriously limit their practical application. In the present work, we developed a Ni-Fe-Mn-In microwire that exhibits both a giant, tensile superelasticity and a magnetic-field-induced first-order phase transformation. The recoverable strain of superelasticity is more than 20% in the temperature range of 233–283 K, which is the highest recoverable strain reported heretofore in Ni-Mn-based shape memory alloys (SMAs). Moreover, the present microwire exhibits a large shape memory effect with a recoverable strain of up to 13.9% under the constant tensile stress of 225 MPa. As a result of the magnetic-field-induced first-order phase transformation, a large reversible magnetocaloric effect with an isothermal entropy change ΔS m of 15.1 J kg –1 K –1 for a field change from 0.2 T to 5 T was achieved in this microwire. The realization of both magnetic-field and tensile-stress-induced transformations confers on this microwire great potential for application in miniature multi-functional devices and provides an opportunity for multi-functional property optimization under coupled multiple fields.

36 MATERIALS SCIENCE↗

Kinetic Control via Binding Sites within the Confined Space of Metal Metalloporphyrin-Frameworks for Enhanced Shape-Selectivity Catalysis

One striking feature of enzyme is its controllable ability to trap substrates via synergistic or cooperative binding in the enzymatic pocket, which renders the shape-selectivity of product by the confined spatial environment. The success of shape-selective catalysis relies on the ability of enzyme to tune the thermodynamics and kinetics for chemical reactions. In emulation of enzyme's ability, we showcase herein a targeting strategy with the substrate being anchored on the internal pore wall of metal-organic frameworks (MOFs), taking full advantage of the sterically kinetic control to achieve shape-selectivity for the reactions. For this purpose, a series of binding site-accessible metal metalloporphyrin-frameworks (MMPFs) have been investigated to shed light on the nature of enzyme-mimic catalysis. They exhibit a different density of binding sites that are well arranged into the nanospace with corresponding distances of opposite binding sites. Furthermore, such a structural specificity results in a facile switch in selectivity from an exclusive formation of the thermodynamically stable product to the kinetic product. Thus, the proposed targeting strategy, based on the combination of porous materials and binding events, paves a new way to develop highly efficient heterogeneous catalysts for shifting selectivity.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The Effects of Material-Filled Voids on Detonation Wave Shape in Rubberized RDX Explosives

The sensitivity of explosives is affected by inhomogeneities within the material. This is evident in the increased shock sensitivity of explosives with slightly lower densities resulting from an increased number of hotspots. The influence of hotspots on explosive initiation has been well studied; however, few studies have been conducted on the effect of intermediate-sized voids (0.1–10 mm) on a propagating detonation wave. Cylindrical voids filled with air have been studied for diameters ranging from 0.3 mm to 0.8 mm for both 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) and 1,3,5-trinitro-1,3,5-triazinane (RDX)-based rubberized explosives. Continuing the investigation into single cylindrical voids, this study examined the effects of 0.5 mm diameter voids filled with different inert cylindrical metals on the detonation wave shape for an RDX-based rubberized explosive. The metals selected for experiments were 1066 aluminum, brass, copper, and tungsten. The propagation of the detonation wave was captured using a digital streak camera. Experimental results showed that the extent of detonation wave shaping was closely tied to the density differential between the bulk explosive and metal insert. Forty-four different filler materials, including non-metals, were simulated using a hydrodynamic code to further analyze material inclusion effects. The main factors hypothesized to be of interest were bulk sound speed, shock impedance, and filler material density. We found that the local detonation delay could be correlated fairly well to a ratio of bulk sound speed and density. Understanding the influence of material inclusions on detonation performance and wave shape allows for tailoring of detonations.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Competing Interactions between Mesoscale Length-Scales, Order-Disorder, and Martensitic Transformation in Ferromagnetic Shape Memory Alloys

In the present study, the effects of composition and heat treatments and the resulting microstructural changes on the martensitic transformation and ferromagnetic transition have been investigated in NiCoMnIn metamagnetic shape memory alloys. In this shape memory alloy system, it is observed that upon heat treatments at a wide temperature range, the onset temperature of the martensitic transformation follows a non-monotonic behavior with respect to heat treatment time, and the nature of the non-monotonic behavior is also a function of composition. This behavior cannot be attributed to well-known factors such as precipitation, change in local composition due to the precipitation and/or global degree of order. In this work, a systematic investigation through synthesis, thermal processing and characterization via thermo-physical measurements, transmission electron microscopy and in-situ synchrotron x-ray diffraction experiments has been used to correlate the non-monotonic dependence of the martensitic transformation and ferromagnetic transition temperatures to the evolution of L2 1 domains arising from a order/disorder phase transition. A thermodynamic model for the magneto-structural transition is combined with classical nucleation theory to further ascertain the role of microstructural length-scales on the onset of the martensitic transformation. This work thus provides understanding of the thermodynamic and kinetic factors that can be controlled to tune the coupled magneto-structural transformations in NiCoMnIn metamagnetic shape memory alloys.

36 MATERIALS SCIENCE↗

Shape evolution and growth mechanisms of 3D-printed nanowires

3D printing of nanowires using Focused Electron Beam Induced Deposition (FEBID) enables the direct-write fabrication of complex 3D objects on almost any substrate surface. The physical properties of such freestanding structures are determined by the dimensions of constituent nanowires. However, little knowledge is available about the exact shape of the nanowires, which is indispensable for calculations and simulations as well as for optimization in applications. In this study, we evaluate the thicknesses and widths of freestanding segments as a function of the inclination angles, primary electron energy, beam currents, and precursor flux. Furthermore, the cross-sectional shape, the cross-sectional area, and the evolution along the length of the wire are investigated. Basing on detailed scanning electron microscopy measurements and Monte Carlo/Finite Differences simulations, the effects that the growth parameters have on the segment growth are elucidated. Furthermore, the results shed light on the growth evolution of the structures and form the basis for future studies on the fabrication of high-precision, arbitrarily shaped nanowires.

36 MATERIALS SCIENCE↗

Analysis of conical slump shape reconstructed from stereovision images for yield stress prediction

Highlights: • Conical slump model tends to underpredict yield stress of material by slump height. • Profiles of slumped materials were reconstructed from stereovision images. • Actual profiles were compared to those predicted by cone and cylinder model. • The cause of deviation lies in the cylinder-like behaviour of conical slumping. • The model of equivalent cylinder could give an accurate yield stress value. Slump cones are widely utilised to evaluate the workability of cement materials owing to their simplicity. Analytical models have been established to relate this empirical value to the yield stress. However, they tend to be less effective for the cone and more valid for cylinder slumps. The cause of this deviation is yet to be fully understood. In this work, more details were sought from slump profiles using stereovision technology. A direct comparison of the predicted shapes based on conical model as well as cylindrical model to actual shapes was undertaken. The visual illustration clearly indicated that conical slumping shows a cylinder-like behaviour, and the slumped shapes in cone tests agree well with those predicted by an equivalent cylinder. By converting to cylindrical dimensionless units, the conical slump height can provide an accurate yield stress. The results suggest that the theory is valid if the slumping behaviour is effectively assumed.

36 MATERIALS SCIENCE↗