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At least 19 records

Rapid particle generation from an STL file and related issues in the application of material point methods to complex objects

Abstract In this paper, we focus on three issues related to applications of material point methods (MPMs) to objects with complex geometries. They are material point generation, compatibility of material points with a mesh, and sensitivity to mesh orientation. An efficient method of generating material points from a stereolithography (STL) file is introduced. This material point generation method is independent of the mesh used in MPM calculations. The compatibility between the material points and the mesh is then studied. We also show that the original MPM and the dual domain material point (DDMP) method are sensitive to mesh orientation. These issues are related to the calculation of the internal force and are concerns of the MPMs. They become more prominent when MPMs are applied to complex geometries. Our numerical results show that the recently developed local stress difference (LSD) algorithm (Perez et al. in J Comp Phys 498:112681, 2024) can be used to effectively address them.

36 MATERIALS SCIENCE↗

Continuous-flow synthesis of thermochromic M-phase VO2 particles via rapid one-step hydrothermal reaction – effect of mixers

VO2 particles are promising materials for thermochromic smart windows that reduce building energy loss. Continuous-flow hydrothermal processes showcase advantages for synthesizing VO2 particles compared with traditional batch reaction systems. Mixers play a crucial role in particle fabrication in continuous-flow systems. In this study, a Center T-Mixer and a Collision Cross-Mixer are developed and implemented in a hot water fluidized suspension reaction (HWFSR) system. The influence of the resident time on the particle phase and size was evaluated, and properties of particles derived from systems equipped with differing mixers were compared. The resulting particles were characterized using techniques of X-ray powder diffraction (XRD) analysis, scanning electron microscopy (SEM), and differential scanning calorimetry (DSC). When compared with the Center T-Mixer, results indicate that the Collision Cross-Mixer has better control regarding the morphology and size distribution of resulting particles while improving the transition temperatures of the as-synthesized materials. HWFSR systems containing novel mixer designs are capable of producing pure M-phase VO2 particles in a single step contrary to the current reactor design that use a second postheat treatment step, and they are capable of synthesizing many other nanoparticle species, especially those requiring high temperature and pressure reaction conditions.

continuous-flow process↗

Klein-Gordon equations for energy-momentum of the relativistic particle in rapidity space

The notion of four-rapidity is defined as a four-vector with one time-like and three space-like coordinates. It is proved, the energy and momentum defined in the space of four-rapidity obey Klein-Gordon equations constrained by the classical trajectory of a relativistic particle. It is shown, for small values of a proper mass influence of the constraint is weakened and the classical motion gains features of a wave motion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Diffusiophoresis in narrow channel flows

We report that flows containing suspended colloidal particles and dissolved solutes are found in a multitude of natural and man-made systems including hydraulic fractures, water filtration systems and microfluidic devices, e.g. those designed for biological or medical applications. In these types of systems, unexpected particle dynamics such as rapid particle transport and focusing has been observed in the presence of local solute gradients due to the cooperating or competing effects of fluid advection and particle diffusiophoresis, the latter driven by local chemical gradients. We develop analytical expressions for the fluid, solute and particle dynamics in long, narrow channels due to the combined influence of pressure-driven channel flow with diffusiophoretic and diffusioosmotic effects. The results confirm a rapid particle focusing effect that can be controlled by manipulating the particle, solute and flow properties, as well as the channel’s geometry and surface chemistry. Thus, we propose a new approach for performing microfluidic zeta potentiometry, as well as techniques for sorting, concentrating and/or capturing particles based on their sizes or zeta potentials. Lastly, we demonstrate that diffusioosmotic effects can be used to pump fluid against a pressure gradient.

42 ENGINEERING↗

Colloidal Particles that Rapidly Change Shape via Elastic Instabilities

The fabrication and properties of pH-responsive colloidal particles are reported, which change shape rapidly (less than 200 ms), nearly independent of the diffusion of the pH altering species that trigger their actuation, and far more rapid than their Brownian motion. Furthermore, these particles are mechanically bistable, as revealed by their hysteretic shape response. Finite element analysis (FEA) shows that mechanical hysteresis and bistability derives from the colloids' spherical curvature. Mechanical characterization of the bilayered polymers comprising the colloidal particles shows that viscoelastic relaxation plays a non-negligible role in limiting the shape switching rate; however, energy landscapes obtained from FEA simulations suggest that by tuning the elastic moduli and thicknesses of the constituent polymer layers, microparticles of the size shown here may be fabricated to actuate on timescales as fast as 1 μs.

42 ENGINEERING↗

Fabricating structured particles through rapid hardening and tailored collection methods

Fabrication of functional polymer-based particles by crosslinking UV-curable polymer drops in mid-air and collecting crosslinked particles in a solid container, a liquid suspension, or an air flow. The particles can contain different phases in the form or layered structures that contain one to multiple cores, or structures that are blended with dissolved or emulsified smaller domains. A curing system produces ultraviolet rays that are directed onto the particles in the jet stream from one side. A reflector positioned on other side of the jet stream reflects the ultraviolet rays back onto the particles in the jet stream.

Ye, Congwang↗

Fabricating structured particles through rapid hardening and tailored collection methods

Fabrication of functional polymer-based particles by crosslinking UV-curable polymer drops in mid-air and collecting crosslinked particles in a solid container, a liquid suspension, or an air flow. The particles can contain different phases in the form or layered structures that contain one to multiple cores, or structures that are blended with dissolved or emulsified smaller domains. A curing system produces ultraviolet rays that are directed onto the particles in the jet stream from one side. A reflector positioned on other side of the jet stream reflects the ultraviolet rays back onto the particles in the jet stream.

Ye, Congwang↗

Dynamical initial-state model for relativistic heavy-ion collisions

We present a fully three-dimensional model providing initial conditions for energy and net-baryon density distributions in heavy ion collisions at arbitrary collision energy. The model includes the dynamical deceleration of participating nucleons or valence quarks, depending on the implementation. The duration of the deceleration continues until the string spanned between colliding participants is assumed to thermalize, which is either after a fixed proper time, or a uctuating time depending on sampled final rapidities. Energy is deposited in space-time along the string, which in general will span a range of space-time rapidities and proper times. We study various observables obtained directly from the initial state model, including net-baryon rapidity distributions, 2-particle rapidity correlations, as well as the rapidity decorrelation of the transverse geometry. Their dependence on the model implementation and parameter values is investigated. Here, we also present the implementation of the model with 3+1 dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial state model at proper times greater than the initial time for the hydrodynamic simulation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Centrality determination with a forward detector in the RHIC Beam Energy Scan

Recently, Chatterjee et al [1] used a hadronic transport model to estimate the resolution with which various experimental quantities select the impact parameter of relativistic heavy ion collisions at collision energies relevant to the Beam Energy Scan (BES) program at the Relativistic Heavy Ion Collider (RHIC). Measures based on particle multiplicity at forward rapidity were found to be significantly worse than those based on midrapidity multiplicity. Using the same model, we show that a slightly more sophisticated measure greatly improves the resolution based on forward rapidity particles; this improvement persists even when the model is filtered through a realistic simulation of a recent upgrade detector to the STAR experiment. Furthermore, these results highlight the importance of optimizing centrality measures based on particles detected at forward rapidity, especially for experimental studies that search for a critical point in the QCD phase diagram. Such measurements usually focus on proton multiplicity fluctuations at midrapidity, hence selecting events based on multiplicity at midrapidity raises the possibility of nontrivial autocorrelations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

RAPID OPTIMAL SPH PARTICLE DISTRIBUTIONS IN SPHERICAL GEOMETRIES FOR CREATING ASTROPHYSICAL INITIAL CONDITIONS

Creating spherical initial conditions in smoothed particle hydrodynamics simulations that are spherically conformal is a difficult task. Here, we describe two algorithmic methods for evenly distributing points on surfaces that when paired can be used to build three-dimensional spherical objects with optimal equipartition of volume between particles, commensurate with an arbitrary radial density function. We demonstrate the efficacy of our method against stretched lattice arrangements on the metrics of hydrodynamic stability, spherical conformity, and the harmonic power distribution of gravitational settling oscillations. We further demonstrate how our method is highly optimized for simulating multi-material spheres, such as planets with core–mantle boundaries.

79 ASTRONOMY AND ASTROPHYSICS↗

ON THE RELATIVISTIC PRECESSION AND OSCILLATION FREQUENCIES OF TEST PARTICLES AROUND RAPIDLY ROTATING COMPACT STARS

Whether or not analytic exact vacuum (electrovacuum) solutions of the Einstein (Einstein-Maxwell) field equations can accurately describe the exterior space-time of compact stars still remains an interesting open question in relativistic astrophysics. As an attempt to establish their level of accuracy, the radii of the innermost stable circular orbits (ISCOs) of test particles given by analytic exterior space-time geometries have been compared with those given by numerical solutions for neutron stars (NSs) obeying a realistic equation of state (EOS). It has been so shown that the six-parametric solution of Pachon et al. (PRS) more accurately describes the NS ISCO radii than other analytic models do. We propose here an additional test of accuracy for analytic exterior geometries based on the comparison of orbital frequencies of neutral test particles. We compute the Keplerian, frame-dragging, and precession and oscillation frequencies of the radial and vertical motions of neutral test particles for the Kerr and PRS geometries and then compare them with the numerical values obtained by Morsink and Stella for realistic NSs. We identify the role of high-order multipole moments such as the mass quadrupole and current octupole in the determination of the orbital frequencies, especially in the rapid rotation regime. The results of this work are relevant to cast a separatrix between black hole and NS signatures and to probe the nuclear-matter EOS and NS parameters from the quasi-periodic oscillations observed in low-mass X-ray binaries.

79 ASTRONOMY AND ASTROPHYSICS↗

Nanoscale Resolution 3D Snapshot Particle Tracking by Multifocal Microscopy

Accurate, precise, and rapid particle tracking in three dimensions remains a challenge; yet, its achievement will significantly enhance our understanding of living systems. We developed a multifocal microscopy (MFM) that allows snapshot acquisition of the imaging data, and an associated image processing approach, that together allow simultaneous 3D tracking of many fluorescent particles with nanoscale resolution. The 3D tracking was validated by measuring a known trajectory of a fluorescent bead with an axial accuracy of 19 nm through an image depth (axial range) of 3 pm and 4 nm precision of axial localization through an image depth of 4 pm. A second test obtained a uniform axial probability distribution and Brownian dynamics of beads diffusing in solution. We also validated the MFM approach by imaging fluorescent beads immobilized in gels and comparing the 3D localizations to their "ground truth" positions obtained from a confocal microscopy z-stack of finely spaced images. Finally, we applied our MFM and image processing approach to obtain 3D trajectories of insulin granules in pseudoislets of MIN6 cells to demonstrate its compatibility with complex biological systems. Our study demonstrates that multifocal microscopy allows rapid (video rate) and simultaneous 3D tracking of many "particles" with nanoscale accuracy and precision in a wide range of systems, including over spatial scales relevant to whole live cells.

3D Tracking↗

A humidity-controlled fast integrated mobility spectrometer (HFIMS) for rapid measurements of particle hygroscopic growth

We present a Humidity-controlled Fast Integrated Mobility Spectrometer (HFIMS) for rapid particle hygroscopicity measurements. The HFIMS consists of a differential mobility analyzer (DMA), a relative humidity (RH) control unit and a water-based FIMS (WFIMS) coupled in series. The WFIMS (Pinterich et al., 2017) combines the Fast Integrated Mobility Spectrometer (Kulkarni and Wang, 2006a, b) with laminar flow water condensation methodologies (Hering & Stolzenburg 2005; Spielman et al. 2017). Inside the WFIMS, particles of different electrical mobilities are spatially separated in an electric field, condensationally enlarged and imaged to provide 1-Hz measurements of size distribution spanning a factor of ~3 in particle diameter, sufficient to cover the entire range of growth factor for atmopheric aerosol particles at 90 % RH. By replacing the second DMA of a traditional hygroscopicity tandem DMA (HTDMA) system with the WFIMS, the HFIMS greatly increases the speed of particle growth factor measurement. The performance of the HFIMS was evaluated using NaCl particles with well-known hygroscopic growth behavior, and further through measurements of ambient aerosols. Results show that HFIMS can reproduce, within 2 % the literature values for hygroscopic growth of NaCl particles. NaCl deliquescence was observed between 76 % and 77 % RH in agreement with the theoretical value of 76.5 % (Ming and Russell, 2001), and efflorescence relative humidity (43 %) was found to lie within the RH range of 41 % to 56 % reported in the literature. Ambient data indicate that HFIMS can measure the hygroscopic growth of five standard dry particle sizes ranging from 35 to 165 nm within less than three minutes, which makes it about an order of magnitude faster than traditional HTDMA systems.

54 ENVIRONMENTAL SCIENCES↗

A Humidity-controlled Fast Integrated Mobility Spectrometer (HFIMS) for rapid measurements of particle hygroscopic growth

We present a Humidity-controlled Fast Integrated Mobility Spectrometer (HFIMS) for rapid particle hygroscopicity measurements. The HFIMS consists of a differential mobility analyzer (DMA), a relative humidity (RH) control unit and a water-based FIMS (WFIMS) coupled in series. The WFIMS (Pinterich et al., 2017) combines the Fast Integrated Mobility Spectrometer (Kulkarni and Wang, 2006a, b) with laminar flow water condensation methodologies (Hering and Stolzenburg, 2005; Spielman et al., 2017). Inside the WFIMS, particles of different electrical mobilities are spatially separated in an electric field, condensationally enlarged and imaged to provide 1-Hz measurements of size distribution spanning a factor of ~ 3 in particle diameter, sufficient to cover the entire range of growth factor for atmospheric aerosol particles at 90 % RH. By replacing the second DMA of a traditional hygroscopicity tandem DMA (HTDMA) system with the WFIMS, the HFIMS greatly increases the speed of particle growth factor measurement. The performance of the HFIMS was evaluated using NaCl particles with well-known hygroscopic growth behavior, and further through measurements of ambient aerosols. Results show that HFIMS can reproduce, within 2 % the literature values for hygroscopic growth of NaCl particles. NaCl deliquescence was observed between 76 % and 77 % RH in agreement with the theoretical value of 76.5 % (Ming and Russell, 2001), and efflorescence relative humidity (43 %) was found to lie within the RH range of 41 % to 56 % reported in the literature. Ambient data indicate that HFIMS can measure the hygroscopic growth of five standard dry particle sizes ranging from 35 to 165 nm within less than three minutes, which makes it about an order of magnitude faster than traditional HTDMA systems.

54 ENVIRONMENTAL SCIENCES↗

Plasma and X-ray radiation-induced damage mechanisms in a tungsten heavy alloy

Tungsten-based materials are among the main candidate plasma-facing materials for future fusion reactors where extreme conditions of thermomechanical stresses, radiation, and energetic particles must be withstood. Here a hybrid X-pinch platform combined with a pulsed power machine was used to study damage mechanisms in 90W–4Cu–6Ni tungsten heavy alloy as a result of exposure to high energy density plasma, X-ray radiation, and the resulting thermal shock. It was found that the plasma-facing surface of the material undergoes severe melting and ablation with the extent of ablation being higher in the Cu–Ni phase than the W particles. Rapid melting and solidification transform the W particles into fine dendrite morphologies embedded in the Cu–Ni solid solution. Cracking was also observed in the subsurface layers at the interfaces between the W particles and the Cu-rich phase of the Cu–Ni matrix. X-ray radiation, on the other hand, cause slight melting on the surface without significant ablation and no cracking.

36 MATERIALS SCIENCE↗

Origin of Rapid Delithiation In Secondary Particles Of LiNi 0.8 Co 0.15 Al 0.05 O 2 and LiNi y Mn z Co 1− y − z O 2 Cathodes

Abstract Most research on the electrochemical dynamics in materials for high‐energy Li‐ion batteries has focused on the global behavior of the electrode. This approach is susceptible to misleading analyses resulting from idiosyncratic kinetic conditions, such as surface impurities inducing an apparent two‐phase transformation within LiNi 0.8 Co 0.15 Al 0.05 O 2 . Here, nano‐focused X‐ray probes are used to measure delithiation operando at the scale of secondary particle agglomerates in layered cathode materials during charge. After an initial latent phase, individual secondary particles undergo rapid, stochastic, and largely uniform delithiation, which is in contrast with the gradual increase in cell potential. This behavior reproduces across several layered oxides. Operando X‐ray microdiffraction (‐XRD) leverages the relationship between Li content and lattice parameter to further reveal that rate acceleration occurs between Li‐site fraction ( x Li ) ≈0.9 and ≈0.5 for LiNi 0.8 Co 0.15 Al 0.05 O 2 . Physics‐based modeling shows that, to reproduce the experimental results, the exchange current density ( i 0 ) must depend on x Li , and that i 0 should increase rapidly over three orders of magnitude at the transition point. The specifics and implications of this jump in i 0 are crucial to understanding the charge‐storage reaction of Li‐ion battery cathodes.

25 ENERGY STORAGE↗