Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Particle shape”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tunable shear thickening, aging, and rejuvenation in suspensions of shape-memory-endowed liquid crystalline particles

The morphological features of particles, notably shape anisotropy, critically influence the rheological properties of dense suspensions, spanning both natural and engineered systems. This work explores the potential of using shape memory particles to dynamically regulate suspension fluid flow through controllable shape transformations. First, we synthesize shape-memory particles with programmable anisotropy from liquid crystal elastomers, such that the stiffness and shapes of the particles can be tuned by manipulating temperature. Our findings reveal that suspensions from such particles exhibit significant tunability in shear thickening behavior, transitioning from discontinuous shear thickening to a Newtonian-like response within a narrow temperature range of 60 ° C. This capability to modulate rheological responses in situ presents an approach for addressing processing challenges in many applications where control over flow behavior is paramount. Furthermore, we also show that suspensions composed of these anisotropic particles can undergo physical aging, and evolve into a glassy state. This state can be escaped upon activation of the shape memory effect. This reversibility underscores the potential for using such materials to engineer systems that can enter or come out of kinetic arrest by leveraging internal mechanical responses to external stimuli. The insights gained here not only broaden our understanding of the interplay between particle geometry and suspension dynamics but also pave the way for leveraging ensembles of stimuli-responsive objects to precisely control collective behaviors in many-body systems.

Science & Technology - Other Topics↗
DOE OSTI2017

Estimation of the superhigh-frequency magnetic permeability of alsifer from the measured permeability of composites

The magnetic permeability of alsifer was restored from the frequency dependences of the dielectric and magnetic permeabilities of powder alsifer (AlSiFe alloy)–wax matrix composites. The permeabilities were measured using the coaxial line technique within a frequency range of 0.05–20 GHz. The effect of the concentration, shape, and size of powder particles on the microwave magnetic properties of composites was considered. A good agreement between the measurement results and the Maxwell–Garnett formula generalized with consideration for the particle shape, the percolation threshold, and the skin-effect was obtained. The found sizes of particles agreed with electron microscopy and granulometry data. Both the frequency and the ferromagnetic resonance line figure of merit (FOM) for lamellar particles proved to be higher than for spherical ones. Alsifer powders were shown to be promising fillers for radioabsorbing materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Temperature dependent localized surface plasmon resonance properties of supported gold nanoparticles

The well known localized surface plasmon resonance (LSPR) of gold nanoparticles (AuNPs) supported on a dielectric substrate depends on the particle shape, size and type of dielectric material. The particle size and shape mainly vary with the method of preparation and the parameters involved there in. In this report, we show preparation of AuNPs supported on quartz substrate by direct current sputtering followed by thermal annealing at an optimized temperature of 400 °C. The samples were characterized using optical absorption spectra, scanning electron microscopy (SEM) and the energy dispersive x-ray spectrum. The LSPR position could be tuned by varying annealing temperature. The LSPR was found to be blue shifted up to 10 nm with annealing temperature varying from 400 °C to 800 °C. The change in LSPR was ascribed to the morphology of AuNPs over quartz.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Linked topological colloids in a nematic host

Geometric shape and topology of constituent particles can alter many colloidal properties such as Brownian motion, self-assembly, and phase behavior. Thus far, only single-component building blocks of colloids with connected surfaces have been studied, although topological colloids, with constituent particles shaped as freestanding knots and handlebodies of different genus, have been recently introduced. Here we develop a topological class of colloids shaped as multicomponent links. Using two-photon photopolymerization, we fabricate colloidal microparticle analogs of the classic examples of links studied in the field of topology, the Hopf and Solomon links, which we disperse in nematic fluids that possess orientational ordering of anisotropic rod-like molecules. The surfaces of these particles are treated to impose tangential or perpendicular boundary conditions for the alignment of liquid crystal molecules, so that they generate a host of topologically nontrivial field and defect structures in the dispersing nematic medium, resulting in an elastic coupling between the linked constituents. Here, the interplay between the topologies of surfaces of linked colloids and the molecular alignment field of the nematic host reveals that linking of particle rings with perpendicular boundary conditions is commonly accompanied by linking of closed singular defect loops, laying the foundations for fabricating complex composite materials with interlinking-based structural organization.

14 SOLAR ENERGY↗
DOE OSTI2014

Noiseless Vlasov–Poisson simulations with linearly transformed particles

We introduce a deterministic discrete-particle simulation approach, the Linearly-Transformed Particle-In-Cell (LTPIC) method, that employs linear deformations of the particles to reduce the noise traditionally associated with particle schemes. Formally, transforming the particles is justified by local first order expansions of the characteristic flow in phase space. In practice the method amounts of using deformation matrices within the particle shape functions; these matrices are updated via local evaluations of the forward numerical flow. Because it is necessary to periodically remap the particles on a regular grid to avoid excessively deforming their shapes, the method can be seen as a development of Denavit's Forward Semi-Lagrangian (FSL) scheme (Denavit, 1972 [8]). However, it has recently been established (Campos Pinto, 2012 [20]) that the underlying Linearly-Transformed Particle scheme converges for abstract transport problems, with no need to remap the particles; deforming the particles can thus be seen as a way to significantly lower the remapping frequency needed in the FSL schemes, and hence the associated numerical diffusion. To couple the method with electrostatic field solvers, two specific charge deposition schemes are examined, and their performance compared with that of the standard deposition method. Finally, numerical 1d1v simulations involving benchmark test cases and halo formation in an initially mismatched thermal sheet beam demonstrate some advantages of our LTPIC scheme over the classical PIC and FSL methods. Benchmarked test cases also indicate that, for numerical choices involving similar computational effort, the LTPIC method is capable of accuracy comparable to or exceeding that of state-of-the-art, high-resolution Vlasov schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Three dimensional complex plasma structures in a combined radio frequency and direct current discharge

We report on the first detailed analysis of large three dimensional (3D) complex plasma structures in experiments performed in pure rf and combined rf+dc discharge modes. Inductively coupled plasma is generated by an rf coil wrapped around the vertically positioned cylindrical glass tube at a pressure of 0.3 mbar. In addition, dc plasma can be generated by applying voltage to the electrodes at the ends of the tube far from the rf coil. The injected monodisperse particles are levitated in the plasma below the coil. A scanning laser sheet and a high resolution camera are used to determine the 3D positions of about 10{sup 5} particles. The observed bowl-shaped particle clouds reveal coexistence of various structures, including well-distinguished solid-like, less ordered liquid-like, and pronounced string-like phases. New criteria to identify string-like structures are proposed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Enhanced stopping of macro-particles in particle-in-cell simulations

We derive an equation for energy transfer from relativistic charged particles to a cold background plasma appropriate for finite-size particles that are used in particle-in-cell simulation codes. Expressions for one-, two-, and three-dimensional particles are presented, with special attention given to the two-dimensional case. This energy transfer is due to the electric field of the wake set up in the background plasma by the relativistic particle. The enhanced stopping is dependent on the q{sup 2}/m, where q is the charge and m is the mass of the relativistic particle, and therefore simulation macro-particles with large charge but identical q/m will stop more rapidly. The stopping power also depends on the effective particle shape of the macro-particle. These conclusions are verified in particle-in-cell simulations. We present 2D simulations of test particles, relaxation of high-energy tails, and integrated fast ignition simulations showing that the enhanced drag on macro-particles may adversely affect the results of these simulations in a wide range of high-energy density plasma scenarios. We also describe a particle splitting algorithm which can potentially overcome this problem and show its effect in controlling the stopping of macro-particles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Electrodeposition of Fe{sub 3}O{sub 4} layer from solution of Fe{sub 2}(SO{sub 4}){sub 3} with addition ethylene glycol

The electrodeposition of Fe{sub 3}O{sub 4} layer from the solution Fe{sub 2}(SO{sub 4}){sub 3} with the addition of ethylene glycol on Indium Tin Oxide (ITO) substrate has been performed. The electrodeposition was carried out using a voltage of 5 volts for 120 seconds, with and without the addition of 2% wt ethylene glycol. Significant effects of temperature on the resulting the samples is observed when they are heated at 400 °C. Structural characterization using X-ray diffraction (XRD) shows that all samples produce a layer of Fe{sub 3}O{sub 4} with particle size less than 50 nanometers. The addition of ethylene glycol and the heating of the sample causes a shrinkage in particle size. The scanning electron microscopy (SEM) characterization shows that Fe{sub 3}O{sub 4} layer resulting from the process of electrodeposition of Fe{sub 2}(SO{sub 4}){sub 3} without ethylene glycol, independent of whether the sample is heated or not, is uneven and buildup. Layer produced by the addition of ethylene glycol without heating produces spherical particles. On contrary, when the layer is heated the spherical particles transform to irregularly-shaped particles with smaller size.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Energetics of 2D and 3D Gold Nanoparticles on MgO(100): Influence of Particle Size and Defects on Gold Adsorption and Adhesion Energies

In this work, the adsorption of gold vapor onto MgO(100) films grown on Mo(100) was studied at 300 and 100 K using single crystal adsorption calorimetry (SCAC). The Au particle morphology was investigated using He + low-energy ion scattering spectroscopy (LEIS) and X-ray photoelectron spectroscopy (XPS). The LEIS data combined with particle shape measurements from the literature reveal that, at both 300 K and 100 K, Au grows as 2D islands with bilayer thickness (~0.41 nm) up to a diameter of ~7 nm. At higher coverage, the islands thicken with little increase in diameter. The island densities are 3.0 x10 11 and 5.4 x10 11 per cm 2 at 300 K and 100 K, respectively. The initial sticking probability of Au is 0.90 at 300 K and 0.95 at 100 K. The surface residence time of the Au atoms that do not stick is <10 ms, implying that gold monomers bind to MgO(100) weakly (<69 kJ/mol). The adsorption energies indicate that Au particles of the same size bind more strongly to MgO(100) when grown at 300 K than at 100 K, which we attribute to Au binding to step edges or defects at 300 K, but at perfect MgO(100) terraces at 100 K (because Au diffusion is too slow to find defects). The adsorption energy of Au onto ~30-atom Au clusters is 285 kJ/mol at 300 K, ~68 kJ/mol higher than at 100 K, attributed to the difference between particles on defects versus terraces. Similarly, the adhesion energy of Au nanoparticles to MgO(100) extracted from the adsorption energies at 300 K is much higher (1.8 J/m 2 for ~7 nm particles at defects) than at 100 K (0.3 J/m 2 for ~7 nm particles at terraces). This 100 K adhesion energy is close to that estimated from electron-microscopy shape measurements of Au particles at terraces on MgO(100) (0.45-0.67 J/m 2 ). The heat of Au adsorption and Au 2 chemical potential change by >100 kJ/mol as gold’s 2D island size increases from 0.7 to 7 nm diameter, implying dramatic changes in catalytic activity and sintering rates with 2D diameter. This is the first experimental measurement of any metal adsorption energy on any oxide as a function of island diameter when making 2D islands, as well as the first direct comparison of any adhesion energy found from calorimetric adsorption energies to that from particle shape analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Shape Control of Colloidal Semiconductor Nanocrystals through Thermodynamically Driven Aggregative Growth

The optoelectronic properties of colloidal semiconductor nanocrystals (NCs) can be manipulated by changing their geometric shapes. The precise synthetic control over particle morphologies, however, has remained elusive. Conventional growth techniques rely on the kinetic assembly of atomic units, where supersaturation and precipitation processes can lead to a broad distribution of particle shapes. In this paper, we demonstrate that replacing atomic precursors with small-size nanocrystals as building blocks for larger colloids offers an easier, more predictive control over nanoparticle shape evolution. The reported growth strategy is illustrated via shape-selective syntheses of CdSe and CdS NC cubes, spheres, rods, as well as unprecedented “donut” and ring-like structures. Growth of desired particle morphologies was achieved by choosing an appropriate reaction solvent that minimizes the surface free energy through a unique shape formation. This so-called "aggregative growth mechanism" is explained using a thermodynamic model for interacting viscous colloids. We expect that this novel growth strategy will offer a viable platform for shape–selective synthesis of many inorganic colloids, providing pathways to optimizable optoelectronic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Aspherical particle models for molecular dynamics simulation

In traditional molecular dynamics (MD) simulations, atoms and coarse-grained particles are modeled as point masses interacting via isotropic potentials. For studies where particle shape plays a vital role, more complex models are required. Here, we describe a spectrum of approaches for modeling aspherical particles, all of which are now available (some recently) as options within the LAMMPS MD package. Broadly these include two classes of models. In the first, individual particles are aspherical, either via a pairwise anisotropic potential which implicitly assigns a simple geometric shape to each particle, or in a more general way where particles store internal state which can explicitly define a complex geometric shape. In the second class of models, individual particles are simple points or spheres, but rigid body constraints are used to create composite aspherical particles in a variety of complex shapes. This work discusses parallel algorithms and associated data structures for both kinds of models, which enable dynamics simulations of aspherical particle systems across a wide range of length and time scales. We also highlight parallel performance and scalability and give a few illustrative examples of aspherical models in different contexts.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Continuous Encodable Reshaping of Gold Nanocrystals through Facet Modulation

Shape control of nanocrystals (NCs) is crucial for tuning their assembly behavior and functional properties, yet the precise manipulation of facet composition remains challenging. Here, we present a nanocrystal reshaping strategy to control and modulate the facets of gold (Au) NCs. Our one-pot approach, conducted at room temperature, requires only initial Au NCs, Au 3+ ions, and surfactants, distinguishing it from conventional reduction-mediated “etching-and-regrowth” methods. Detailed structural studies using electron microscopy, small-angle X-ray scattering (SAXS), and UV−vis spectroscopy reveal the surfactant-encoded pathway for NC transformation from shaped particles to spheres and then into various polyhedral shapes while preserving the individual particles' volume. The proposed reshaping mechanism involves the dissolution of surface Au atoms into Au + complexes in the presence of Au 3+ and surfactant, followed by surfactant-guided redeposition and formation of facets with different atomic planes. Using the ethanol oxidation reaction (EOR) as a probe, we observe a quasi-linear decrease in onset potential and an increase in activity with increasing {100} facet exposure. This work broadens synthetic strategies by offering precise NC reshaping and facet control.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Three-dimensional DNA-programmable nanoparticle superlattices

In recent decades, there have been considerable efforts made in the design and synthesis of materials comprised of functional nanoscale particles. However, there is an increasing need to establish platform approaches for creating large-scale three-dimensional (3D) organizations from these particles, with the ability to control and prescribe ordered structures. The use of DNA, as a means of programming interactions between nanocomponents, provides powerful and tailorable means for the rational self-assembly of nanomaterials. Here, the assembly pathway and assembled phases are highly dependent on both particle shape and interparticle interactions, governed by particle DNA coronas, binding modes, or linking mediators capable of complex topologies. This review highlights and discusses recent significant advancements in the field, as well as offers outlook towards future paths in the assembly of the DNA programmable three-dimensional nanoparticle superlattices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Size selected clusters and particles: from physical chemistry and chemical physics to catalysis

When changing the size of metals from single atoms to monodispersed subnanometer clusters to well defined nanoparticles, their properties may change dramatically, as the type and fraction of their atoms gradually shifts from being dominantly under-coordinated to those organized in crystalline facets. Taking into account the one- to three-dimensional particle shapes, structural fluxionality and attachment of particles to a support where interfaces form and changes in electronic properties of the particles may take place, there is a further modification to the intrinsic size- and composition dependent properties in supported particles which add to the complexity of the system.

van Bokhoven, Jeroen A.↗
DOE OSTI2014

Structural investigation and microwave characteristics of (Ba{sub 0.2}La{sub 0.8})Fe{sub 0.2}Mn{sub 0.4}Ti{sub 0.4}O{sub 3} absorbing materials

Synthesis and characterization of (Ba{sub 0.2}La{sub 0.8})Fe{sub 0.2}Mn{sub 0.4}Ti{sub 0.4}O{sub 3} absorbing material by mechanical alloying process has been performed. The absorbing material was prepared by oxide materials, namely BaCO{sub 3}, La{sub 2}O{sub 3}, TiO{sub 2}, Fe{sub 2}O{sub 3}, and MnCO{sub 3}. The mixture was milled for 10 h and then sintered at a temperature of 1000 ° C for 10 h. The refinement results of x-ray diffraction pattern of lanthanum manganite substituted with barium showed that the sample consisted of two phases, namely, La{sub 0.9125}MnO{sub 3} phase which has a structure monoclinic (I12/a1) with lattice parameters a = 5.527(1) Å, b = 5.572(1) Å and c = 7.810(1) Å, α = γ = 90° and β = 89.88(5)°, the unit cell volume of V = 240.57(8) Å{sup 3}, and the atomic density of ρ = 6.238 gr.cm{sup −3}. The microstructure analyses showed that the particle shapes was polygonal with the varied particle sizes of 1 ∼ 3 μm distributed homogeneously on the surface of the samples. The results of the electromagnetic wave absorption curve analysis by using a vector network analyzer (VNA) showed that the sample can absorb microwaves in the frequency range of 8-15 GHz with a very wide absorption bandwidth. It indicates that the as prepared absorber presents potential absorbing property in X and Ku-band. We concluded that the (Ba{sub 0.2}La{sub 0.8})Fe{sub 0.2}Mn{sub 0.4}Ti{sub 0.4}O{sub 3} material can be applied as a candidate absorber material of microwaves or electromagnetic wave.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Falling particle impact erosion testing for particle based CSP systems

CSP systems are currently being examined as an effective method for using solar energy to generate electricity. While much of this research has been conducted using molten salt as the heat transfer medium, in recent years, solid particles have been posited as a cheaper and more energy efficient heat transfer medium for use in CSP systems. Many researchers have looked into the effectiveness of solid particles as a heat transfer medium. However, a concern with the use of particles is that the falling particles will impact various components within the CSP system, such as the hopper, the heat exchanger, and the insulating material, resulting in surface erosion and damage. With repeated impacts from falling particles, material from the surfaces under impact is removed. The degree of erosion depends on whether the substrate is made of brittle or ductile material. Furthermore, factors such as particle shape, size, hardness, concentration, impact angle, particle velocity, and substrate hardness will contribute to the erosion process and determine how much and how quickly erosion will takes place in a system. Three types of erosion will be observed simultaneously: impact erosion from particle impact on receiver, particle storage, and heat exchanger walls, abrasion erosion from particle sliding motion along walls, and attrition erosion as the particles breakdown from particle-to-particle contact and particle-to-wall interactions. It is imperative to understand each of these erosions individually for a more comprehensive understanding and prediction of CSP system durability. In this work, we developed an experimental test setup capable of measuring impact erosion at conditions relevant to 1MW CSP plant. Subsequently, Impact erosion measurements were performed for three different candidate substrate materials at low particle velocities using HSP 40/70 ceramic particles.

14 SOLAR ENERGY↗
DOE OSTI2018

Continuously differentiable PIC shape functions for triangular meshes

In this study, a new class of continuously-differentiable shape functions is developed and applied to two-dimensional electrostatic PIC simulation on an unstructured simplex (triangle) mesh. It is shown that troublesome aliasing instabilities are avoided for cold plasma simulation in which the Debye length is as small as 0.01 cell sizes. These new shape functions satisfy all requirements for PIC particle shape. They are non-negative, have compact support, and partition unity. They are given explicitly by cubic expressions in the usual triangle logical (areal) coordinates. The shape functions are not finite elements because their structure depends on the topology of the mesh, in particular, the number of triangles neighboring each mesh vertex. Nevertheless, they may be useful as approximations to solution of other problems in which continuity of derivatives is required or desired.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

POLARRIS: A POLArimetric Radar Retrieval and Instrument Simulator

This paper introduces a synthetic polarimetric radar simulator and retrieval package, POLArimetric Radar Retrieval and Instrument Simulator (POLARRIS), for evaluating cloud-resolving models (CRMs). POLARRIS is composed of forward (POLARRIS-f) and inverse (retrieval and diagnostic) components (iPOLARRIS) to generate not only polarimetric radar observables ($Z_h, Z_{dr}, K_{dp}, ρ_{hv})$ but also radar-consistent geophysical parameters such as hydrometeor identification, vertical velocity, and rainfall rates retrieved from CRM data. To demonstrate its application and uncertainties, POLARRIS is applied to simulations of a mesoscale convective system over the Southern Great Plains on 23 May 2011, using the Weather Research and Forecasting model with both spectral bin microphysics (SBM) and the Goddard single-moment bulk 4ICE microphysics. Statistical composites reveal a significant dependence of simulated polarimetric observables $(Z_{dr}, K_{dp})$ on the assumptions of the particle axis ratio (oblateness) and orientation angle distributions. We note the simulated polarimetric variables differ considerably between the SBM and 4ICE microphysics in part due to the differences in their ice particle size distributions as revealed by comparisons with aircraft measurements. Regardless of these uncertainties, simulated hydrometeor identification distributions overestimate graupel and hail fractions, especially from the simulation with SBM. To minimize uncertainties in forward model, the particle shape and orientation angle distributions of frozen particles should be predicted in a microphysics scheme in addition to the size distributions and particle densities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗