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Journal articles on the topic 'Simulation shapes of crystals'

Author: Grafiati

Published: 28 May 2022

Last updated: 31 July 2025

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1

Zhang, Jianli, Junyan Yang, Yuanxing Zhang, and Michael A. Bevan. "Controlling colloidal crystals via morphing energy landscapes and reinforcement learning." Science Advances 6, no. 48 (2020): eabd6716. http://dx.doi.org/10.1126/sciadv.abd6716.

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We report a feedback control method to remove grain boundaries and produce circular shaped colloidal crystals using morphing energy landscapes and reinforcement learning–based policies. We demonstrate this approach in optical microscopy and computer simulation experiments for colloidal particles in ac electric fields. First, we discover how tunable energy landscape shapes and orientations enhance grain boundary motion and crystal morphology relaxation. Next, reinforcement learning is used to develop an optimized control policy to actuate morphing energy landscapes to produce defect-free crysta

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2

Wang, Zhengzhi, Wei Zhong, Chunfu Liu, Huanyu Zhao, and Senyun Liu. "Numerical Simulation of Ice Crystal Supercooled Droplet Mixed Phase Icing Based on the Improved Messinger Model." International Journal of Aerospace Engineering 2023 (April 13, 2023): 1–12. http://dx.doi.org/10.1155/2023/6696084.

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The ice crystal supercooled droplet mixed phase icing problem is an important research direction in aircraft icing and has received more attention in recent years. The thermodynamic process of the water film after the ice crystals impact on the surface determines the final ice shape, which is an important part of the accurate prediction of aircraft icing. In this paper, a thermodynamic model of ice crystal supercooled droplet mixed phase icing is proposed based on the extended Messinger model, according to the results of flow field and particle trajectory calculations. In this model, the mass

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3

Mu, Q., E. G. Kablukova, B. A. Kargin, and S. M. Prigarin. "Monte Carlo simulation of halos in the crystal clouds." Journal of Physics: Conference Series 2099, no. 1 (2021): 012067. http://dx.doi.org/10.1088/1742-6596/2099/1/012067.

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Abstract In this paper, we try to answer the question: how the multiple scattering, the sun elevation, shape and orientation of ice crystals in the cirrus clouds affect a halo pattern. To study the radiation transfer in optically anisotropic clouds, we have developed the software based on Monte Carlo method and ray tracing. In addition to halos, this software enables one to simulate “anti-halos”, which above the cloud layer can be seen by observers. We present the visualization of halos and anti-halos generated by the cirrus clouds for different shapes and orientations of ice crystals.

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4

Du, Shichao, Chuanping Yu, Ping Zhang, et al. "Hierarchical Structure of Glucosamine Hydrochloride Crystals in Antisolvent Crystallization." Crystals 13, no. 9 (2023): 1307. http://dx.doi.org/10.3390/cryst13091307.

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The crystal morphology of glucosamine hydrochloride (GAH) during antisolvent crystallization was investigated in this work. Particles of different shapes, such as plate-like crystals, leaflike clusters, fan-like dendrites, flower-like aggregates, and spherulites, were produced by tuning the type of antisolvents and crystallization operating conditions. The hierarchical structures of GAH crystals tended to be formed in a water + isopropanol mixture. The effects of operation parameters on the polycrystalline morphology were studied, including crystallization temperature, solute concentration, fe

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Molthan, Andrew L., and Walter A. Petersen. "Incorporating Ice Crystal Scattering Databases in the Simulation of Millimeter-Wavelength Radar Reflectivity." Journal of Atmospheric and Oceanic Technology 28, no. 3 (2011): 337–51. http://dx.doi.org/10.1175/2010jtecha1511.1.

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Abstract The Canadian CloudSat/Cloud–Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) Validation Project (C3VP) was designed to acquire aircraft, surface, and satellite observations of particle size distributions during cold season precipitation events for the purposes of validating and improving upon satellite-based retrievals of precipitation and the representation of cloud and precipitation processes within numerical weather prediction schemes. During an intensive observation period on 22 January 2007, an instrumented aircraft measured ice crystal size distributions, i

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Каргин, Борис Александрович, Евгения Геннадьевна Каблукова, and Цюань Му. "Numerical stochastic simulation of optical radiation scattering by ice crystals of irregular random shapes." Вычислительные технологии, no. 2 (May 11, 2022): 4–18. http://dx.doi.org/10.25743/ict.2022.27.2.002.

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Перистая облачность является существенным источником неопределенности при построении численных моделей радиационного баланса Земли. В данной работе вычисляются индикатрисы рассеяния оптического излучения кристаллическими ледяными частицами нерегулярной формы на основе геометрической оптики с использованием метода трассировки лучей, что позволит дополнить оптические модели перистой облачности новыми данными. В качестве моделей ледяных частиц нерегулярной формы предлагается использовать многогранники, являющиеся выпуклыми оболочками случайного множества точек, распределенных по некоторому закону

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7

Jeong, Woon-Hyeon, Su-Min Choi, Su-Min Lim, et al. "Influence of Active Afterheater in the Crystal Growth of Gallium Oxide via Edge-Defined Film-Fed Growing Method." Crystals 13, no. 11 (2023): 1591. http://dx.doi.org/10.3390/cryst13111591.

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In this study, we explored the effect of an active afterheater on the growth of gallium oxide single crystals using the EFG method. We analyzed the temperature distribution of the crystal under the growing process through multiphysics simulations of the models with and without an active afterheater and investigated the morphology of crystals by applying each model to real experimental growths. The afterheater is a component in the growing furnace that activates radiant heat transfer, and its performance depends on its location, size, material, and shape. The simulation results showed that the

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Tokuda, Yuichiro, Norihiro Hoshino, Hironari Kuno, et al. "Fast 4H-SiC Bulk Growth by High-Temperature Gas Source Method." Materials Science Forum 1004 (July 2020): 5–13. http://dx.doi.org/10.4028/www.scientific.net/msf.1004.5.

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The process conditions for fast growth of 4 in. 4H-polytype SiC (4H-SiC) single crystals were studied for high-temperature gas source method. Prior to experiments, crystal growth simulations were conducted to investigate the influence of vertical gas-flow velocity on the radial distribution of the growth rate. Crystal growth experiments were performed using the crucibles designed for 4 in. crystal growth following the simulation studies. By investigating growth rate as functions of the input partial pressure of source gases and temperatures of growing surfaces, expressions for the growth rate

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9

Wieszała, R., J. Piątkowski, and H. Bąkowski. "Application of FEM Analysis for Evaluation of the Stress and Deformation Distributions in the Top Layer of A390.0 Alloy During Friction." Archives of Foundry Engineering 17, no. 1 (2017): 228–34. http://dx.doi.org/10.1515/afe-2017-0040.

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Abstract The paper presents an analysis of the effect of shape of primary silicon crystals on the sizes of stresses and deformations in a surface layer of A390.0 alloy by Finite Elements Method (FEM). Analysis of stereological characteristics of the studied alloy, performed based on a quantitative metallographic analysis in combination with a statistical analysis, was used for this purpose. The presented simulation tests showed not only the deposition depth of maximum stresses and strains, but also allowed for determining the aforementioned values depending on the shape of the silicon crystals

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10

Mokina, V. M., F. A. Danevich, V. V. Kobychev, et al. "Optimization of Light Collection from Crystal Scintillators for Cryogenic Rare Decay Experiments." Solid State Phenomena 230 (June 2015): 199–204. http://dx.doi.org/10.4028/www.scientific.net/ssp.230.199.

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The aim of this work is optimization of light collection in conditions similar to that in cryogenic scintillating bolometers. Energy resolution and relative pulse amplitude of scintillation detectors were measured using CaWO4 crystals with different shapes (cylindrical, hexagonal, cube and triangle prism), reflector materials and shapes, optical contact and surface conditions (polished and diffuse). Light collection was simulated using the ZEMAX ray-tracing software. The results of the simulations are in good agreement with the measured values of light output. Scintillators in the shape of a t

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11

Putranta, Himawan, Heru Kuswanto, Aditya Yoga Purnama, Syella Ayunisa Rani, and Sabaruddin Sabaruddin. "Simulation of Magnetic Anisotropy Energy Surfaces for Cubic Crystals Using MATLAB in Remote Material Physics Lectures." Trends in Sciences 19, no. 18 (2022): 5818. http://dx.doi.org/10.48048/tis.2022.5818.

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The physical characteristics of a crystal can be viewed from the distribution of magnetic energy contained in it so that a simulation is needed which helps in visualizing the magnetic energy of the crystals. This study aims to present a simple solution for constructing a simulation of the physical properties of cubic crystals using MATLAB software. MATLAB can also be used to help organize physics lectures remotely. This is because MATLAB can be operated by anyone, anytime, and anywhere without being connected to the internet network to help visualize the material magnetization concept in the f

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12

Zhu, Dan, Shihao Zhang, Pingping Cui, et al. "Solvent Effects on Catechol Crystal Habits and Aspect Ratios: A Combination of Experiments and Molecular Dynamics Simulation Study." Crystals 10, no. 4 (2020): 316. http://dx.doi.org/10.3390/cryst10040316.

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This work could help to better understand the solvent effects on crystal habits and aspect ratio changes at the molecular level, which provide some guidance for solvent selection in industrial crystallization processes. With the catechol crystal habits acquired using both experimental and simulation methods in isopropanol, methyl acetate and ethyl acetate, solvent effects on crystal morphology were explored based on the modified attachment energy model. Firstly, morphologically dominant crystal faces were obtained with the predicted crystal habit in vacuum. Then, modified attachment energies w

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13

Zhang, Xu, and De Xiang Jia. "Kinetics of Potassium Dihydrogen Phosphate Single-Crystal Growth Mapped by the Chemical Bond Simulation." Advanced Materials Research 554-556 (July 2012): 31–34. http://dx.doi.org/10.4028/www.scientific.net/amr.554-556.31.

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A chemical bond simulation was proposed to quantitatively calculate the growth rate from the kinetic model of the crystal-solution interface. When this approach was applied to the cases of potassium dihydrogen phosphate (KDP) crystals grown from the solution with different surpersaturation, the growth behaviors of KDP crystals were predicted and the calculated results were consistent with the experimental data. These results demonstrate that regulating the distribution of the chemical bonds between the crystal and solution interfaces can effectively control the crystal morphology. Seeding expe

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14

Singh, M. K. "Simulating growth morphology of urea crystals from vapour and aqueous solution." CrystEngComm 17, no. 40 (2015): 7731–44. http://dx.doi.org/10.1039/c5ce01013f.

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The prediction of solvent-induced urea crystal growth shape from the internal and interfacial atomic structure was investigated. A computational model was used to calculate crystal growth morphologies from vapour and aqueous solution as a function of supersaturation; predicted growth shapes agree well with experimental observations.

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15

Saito, Yukio, and Tsuyoshi Ueta. "Lattice-gas model simulation of crystal shapes." Journal of Crystal Growth 99, no. 1-4 (1990): 171–74. http://dx.doi.org/10.1016/0022-0248(90)90506-g.

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16

Choudhary, D., and S. Nag. "Comparative performance analysis of crystals in total-body PET scanners: Monte-Carlo simulation study with different materials and geometry." Journal of Instrumentation 20, no. 05 (2025): P05015. https://doi.org/10.1088/1748-0221/20/05/p05015.

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Abstract Total-Body PET (TB-PET) scanners mark a significant leap in medical diagnostics, especially uEXPLORER, the world's first TB-PET, spanning 194 cm axially, showing remarkable sensitivity and spatial resolution. This study uses Monte Carlo simulation toolkit Geant4 to assess detector crystals of various configurations and materials. We focus on critical parameters — sensitivity, intrinsic coincident time resolution (CTR), and energy resolution — across three crystal designs: 1) standard LYSO Crystals, the baseline. 2) 0.1% Mg, 1% Ce Doped Gd3Al2Ga3O12 (Mg,Ce:GAGG), an alternative materia

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17

CLIMENT-EZQUERRA, B., F. GUILLÉN-GONZÁLEZ, and M. A. RODRÍGUEZ-BELLIDO. "STABILITY FOR NEMATIC LIQUID CRYSTALS WITH STRETCHING TERMS." International Journal of Bifurcation and Chaos 20, no. 09 (2010): 2937–42. http://dx.doi.org/10.1142/s0218127410027477.

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We study a nematic crystal model that appeared in [Liu et al., 2007], modeling stretching effects depending on the different shapes of the microscopic molecules of the material, under periodic boundary conditions. The aim of the present article is two-fold: to extend the results given in [Sun & Liu, 2009], to a model with more complete stretching terms and to obtain some stability and asymptotic stability properties for this model.

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18

Varma, Vidya, Olaf Morgenstern, Paul Field, Kalli Furtado, Jonny Williams, and Patrick Hyder. "Improving the Southern Ocean cloud albedo biases in a general circulation model." Atmospheric Chemistry and Physics 20, no. 13 (2020): 7741–51. http://dx.doi.org/10.5194/acp-20-7741-2020.

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Abstract. The present generation of global climate models is characterised by insufficient reflection of short-wave radiation over the Southern Ocean due to a misrepresentation of clouds. This is a significant concern as it leads to excessive heating of the ocean surface, sea surface temperature biases and subsequent problems with atmospheric dynamics. In this study, we modify cloud microphysics in a recent version of the Met Office's Unified Model and show that choosing a more realistic value for the shape parameter of atmospheric ice crystals, in better agreement with theory and observations

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19

Barrera, Jorge Luis, Caitlyn Cook, Elaine Lee, Kenneth Swartz, and Daniel Tortorelli. "Liquid Crystal Orientation and Shape Optimization for the Active Response of Liquid Crystal Elastomers." Polymers 16, no. 10 (2024): 1425. http://dx.doi.org/10.3390/polym16101425.

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Liquid crystal elastomers (LCEs) are responsive materials that can undergo large reversible deformations upon exposure to external stimuli, such as electrical and thermal fields. Controlling the alignment of their liquid crystals mesogens to achieve desired shape changes unlocks a new design paradigm that is unavailable when using traditional materials. While experimental measurements can provide valuable insights into their behavior, computational analysis is essential to exploit their full potential. Accurate simulation is not, however, the end goal; rather, it is the means to achieve their

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20

Zhou, Zeyu, Wen Huang, Wei Jiang, and Zhen Zhang. "An Operator-Splitting Optimization Approach for Phase-Field Simulation of Equilibrium Shapes of Crystals." SIAM Journal on Scientific Computing 46, no. 3 (2024): B331—B353. http://dx.doi.org/10.1137/23m161183x.

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21

Adler, Joan, Lilach Saltoun, and Emil Polturak. "Simulation and visualization of crystal shapes and interfaces." Journal of Physics: Conference Series 750 (September 2016): 012011. http://dx.doi.org/10.1088/1742-6596/750/1/012011.

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22

Liu, W. H., Xin Ming Zhang, Jian Guo Tang, and Yu Xuan Du. "3D FEM Simulation of Void Growth in Aluminum Single Crystals." Materials Science Forum 546-549 (May 2007): 893–98. http://dx.doi.org/10.4028/www.scientific.net/msf.546-549.893.

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Void growth in aluminum single crystals is simulated using the finite element method, to illustrate the effect of grain orientation on void growth, a rate dependent crystal plasticity constitutive theory is implemented as a user-defined plasticity subroutine. A three-dimension unit cell including a sphere void was employed using three-dimensional 12 active slip systems. The computed results for several grain orientations are compared, which have shown that crystallographic orientation has significant influence on growth behavior of void. And the void growth direction and shape significantly de

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23

Vasil’ev, M. G., V. M. Krymov, Yu G. Nosov, and S. I. Bakholdin. "Simulation of heat transfer processes during the growth of crystals of the NiFeGaCo alloy." Journal of Physics: Conference Series 2103, no. 1 (2021): 012083. http://dx.doi.org/10.1088/1742-6596/2103/1/012083.

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Abstract Long crystals of NiFeGaCo alloy with shape memory effect, including magnetically controlled ones, were obtained by the methods of Czochralski and Stepanov. A strong influence on the properties of crystals of dendritic formations, especially noticeable in the initial part of the crystal, has been revealed. In order to optimize the growth experiments, the heat transfer process in the thermal growth zone was simulated. It is shown that the formation of dendrites is due to a change in heat transfer during growth, which leads to an increase in the axial temperature gradient near the crysta

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Li, Lei, and Qing Liu. "A novel modal calculation method of 1-D phononic crystal band gap." Multidiscipline Modeling in Materials and Structures 11, no. 1 (2015): 16–22. http://dx.doi.org/10.1108/mmms-11-2014-0057.

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Purpose – The purpose of this paper is to propose a modal method to calculate the band gaps of one-dimensional (1D) phononic crystals. Design/methodology/approach – The phononic crystals have modes with exponential form envelope in the band gaps, however, outside the band gaps the modes are of amplitude modulation periodic form. Thus the start and end frequencies of band gaps can be determined from the existence conditions of periodic modes. So, the band gaps calculation of 1D phononic crystal is transformed into the existence discussion of periodic solution of mode shapes equation. The result

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Schlesiger, Christopher, Lars Anklamm, Wolfgang Malzer, Richard Gnewkow, and Birgit Kanngießer. "A new model for the description of X-ray diffraction from mosaic crystals for ray-tracing calculations." Journal of Applied Crystallography 50, no. 5 (2017): 1490–97. http://dx.doi.org/10.1107/s1600576717012626.

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This paper presents the development of a new reflection model for describing X-ray diffraction from mosaic crystals. In contrast to the well established diffraction model of Zachariasen [Zachariasen (1994),Theory of X-ray Diffraction in Crystals. Mineola: Dover Publications], it gives additional information on the spatial reflection behaviour and not just on the depth-integrated reflectivity of the crystal material. The new reflection model enables a concrete description of mosaic crystal performance in an arbitrary X-ray spectrometer configuration. Multiple reflections inside the crystal are

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Pradère, Philippe, and Edwin L. Thomas. "Shot-noise simulations of HREM images of polymer crystals." Proceedings, annual meeting, Electron Microscopy Society of America 47 (August 6, 1989): 342–43. http://dx.doi.org/10.1017/s0424820100153683.

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High Resolution Electron Microscopy (HREM) is a very powerful technique for the study of crystal defects at the molecular level. Unfortunately polymer crystals are beam sensitive and are destroyed almost instantly under the typical HREM imaging conditions used for inorganic materials. Recent developments of low dose imaging at low magnification have nevertheless permitted the attainment of lattice images of very radiation sensitive polymers such as poly-4-methylpentene-1 and enabled molecular level studies of crystal defects in somewhat more resistant ones such as polyparaxylylene (PPX) [2].Wi

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Gong, Yajing, Yong Peng, Kui Wang, Song Yao, and Shuguang Gong. "An Improved Ordinary State-Based Peridynamic Model for Granular Fractures in Cubic Crystals and the Effects of Crystal Orientations on Crack Propagation." Materials 17, no. 13 (2024): 3196. http://dx.doi.org/10.3390/ma17133196.

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Material anisotropy caused by crystal orientation is an essential factor affecting the mechanical and fracture properties of crystal materials. This paper proposes an improved ordinary state-based peridynamic (OSB-PD) model to study the effect of arbitrary crystal orientation on the granular fracture in cubic crystals. Based on the periodicity of the equivalent elastic modulus of a cubic crystal, a periodic function regarding the crystal orientation is introduced into peridynamic material parameters, and a complete derivation process and expressions of correction factors are given. In addition

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Parrinello, Michele. "Atomistic Modeling of Crystal Nucleation and Growth." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C39. http://dx.doi.org/10.1107/s2053273314099604.

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Understanding crystal growth from solution is crucial to control the development of crystal morphologies. Since the interaction of crystals with their environment occurs through their surface, their shape controls a wide variety of properties. This is particularly important not only in nanotechnology, where shape-function relations play a key role, but also in medicine where, e.g., changing the morphology of particles allows for a better targeting of cancer cells. In this work we combine experiments, molecular simulations and theory to examine the morphology of urea crystals grown in different

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Sun, Chenguang, Xingtian Ai, Hui Zhang, Hungpang Chou, Huiyun Lyu, and Guifeng Chen. "Investigation of Oxygen Behavior under Different Melt Flow, Diffusion Boundary Layer, and Crystal-Melt Interface in a 300 mm Silicon Crystal Growth with Cusp Magnetic Field." Coatings 13, no. 9 (2023): 1634. http://dx.doi.org/10.3390/coatings13091634.

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The silicon single crystals for semiconductor application are usually grown by the Czochralski (CZ) method. In this paper, we studied a 300 mm Czochralski silicon crystal grown with a cusp magnetic field to be used for an insulated gate bipolar transistor (IGBT). Different positions of the zero-Gauss plane (ZGP) under a cusp magnetic field were simulated and compared to numerical analysis. We investigated three factors that affected the oxygen concentration in the crystal, including (1) melt convection, (2) melt flow velocity near the quartz crucible wall, and (3) the diffusion boundary layer.

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Zavorotnev Yu.D., Metlov L.S., and Tomashevskaya E.Yu. "Establishing the stationary state during severe plastic deformation by twisting in two-component crystals." Physics of the Solid State 64, no. 4 (2022): 446. http://dx.doi.org/10.21883/pss.2022.04.53501.263.

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The propagation of a switching wave (kink) in two-component crystals during plastic torsion strain has been considered. The phenomenological Landau theory with consideration of Lifshitz invariants was used. A numerical simulation of the shape of the kink that occurs under various temperatures has been performed. Keywords: kink, order parameter, torsion, potential, two-component crystal.

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Verezub, N. A., L. V. Kozhitov, T. T. Kondratenko, A. I. Prostomolotov, and I. V. Silaev. "Technology and thermomechanics in growing tubular silicon single crystals." Izvestiya Vysshikh Uchebnykh Zavedenii. Materialy Elektronnoi Tekhniki = Materials of Electronics Engineering 25, no. 3 (2022): 202–13. http://dx.doi.org/10.17073/1609-3577-2022-3-202-213.

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The problem of growing high-resistance low-dislocation tubular silicon single crystals for non-planar manufacturing technologies of epitaxial p-n junctions and the production of new-generation power semiconductor devices is considered. The possibilities of Stepanov method for growing volumetric profiled crystalline products, the application of which is based on the use of shapers of various designs, are discussed. In particular, the shortcomings of shapers associated with the melt contamination by foreign particles and impurities are discussed. Therefore, the main attention is paid to the use

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Wang, Zhen, Ning Hui Wang, and Tie Li. "Transient 3D Simulation of a Submerged-Arc Furnace for Production of MgO Single Crystal." Materials Science Forum 675-677 (February 2011): 995–98. http://dx.doi.org/10.4028/www.scientific.net/msf.675-677.995.

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High quality magnesium oxide (MgO) single crystals have been grown by an arc-fusion method. Due to the hostile environment for observing the process occurring in the inner zone of the furnace, direct measurements on the arcs by conventional diagnostic method are practically impossible. Moreover, it has been proved that the control of the temperature field of the whole system is crucial to grow high-purityMgO single crystals with large and super-large sizes. However, very few studies have been carried out to investigate the correlation between the thermal behavior and MgO single crystal growth

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Xie, Siwei, Xi Zhang, Yibin Zhang, et al. "Evaluation of Various Scintillator Materials in Radiation Detector Design for Positron Emission Tomography (PET)." Crystals 10, no. 10 (2020): 869. http://dx.doi.org/10.3390/cryst10100869.

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The performance of radiation detectors used in positron-emission tomography (PET) is determined by the intrinsic properties of the scintillators, the geometry and surface treatment of the scintillator crystals and the electrical and optical characteristics of the photosensors. Experimental studies were performed to assess the timing resolution and energy resolution of detectors constructed with samples of different scintillator materials (LaBr3, CeBr3, LFS, LSO, LYSO: Ce, Ca and GAGG) that were fabricated into different shapes with various surface treatments. The saturation correction of SiPMs

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Tereshkin, E. V., K. B. Tereshkina, and Y. F. Krupyanskii. "Molecular dynamics of DNA-binding protein and its 2D-crystals." Journal of Physics: Conference Series 2056, no. 1 (2021): 012016. http://dx.doi.org/10.1088/1742-6596/2056/1/012016.

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Abstract In this work the dodecamers and the two-dimensional crystals of DNA-binding protein from starved cells (DPS) of Escherichia coli bacteria were investigated. The DPS monomer contains 167 amino acids residues. It can form dimers, trimers, and dodecamers. The versatility of the DPS protein structure can be used to design nanomaterials with structures and functions not found in living nature. The ability of this protein to self-assemble into complex shapes and structures defined on the nanometer scale can make them highly demanded for various technological applications. It was used all-at

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Yang, Bo, Afang Jin, Jing Cheng, Shuhao Zhou, and Bang Jiang. "Numerical Simulation of Ice Crystal Accretion and Aerodynamic Impacts on Wind Turbine Blades in Cold Climates." Coatings 15, no. 2 (2025): 126. https://doi.org/10.3390/coatings15020126.

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With the advancement of science and technology, wind power generation has been widely adopted globally. However, ice accretion severely limits the operational efficiency and structural safety of wind turbines in cold regions, while existing research primarily focuses on the impact of supercooled droplets on blade icing, the influence of ice crystals in cold environments on the blade icing process has been largely overlooked. This study systematically simulated the accretion of ice crystals and supercooled droplets under clear ice conditions. It evaluated the effects of various ice crystal para

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Sedlák, Petr, Michaela Janovská, Lucie Bodnárová, Oleg Heczko, and Hanuš Seiner. "Softening of Shear Elastic Coefficients in Shape Memory Alloys Near the Martensitic Transition: A Study by Laser-Based Resonant Ultrasound Spectroscopy." Metals 10, no. 10 (2020): 1383. http://dx.doi.org/10.3390/met10101383.

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We discuss the suitability of laser-based resonant ultrasound spectroscopy (RUS) for the characterization of soft shearing modes in single crystals of shape memory alloys that are close to the transition temperatures. We show, using a numerical simulation, that the RUS method enables the accurate determination of the c′ shear elastic coefficient, even for very strong anisotropy, and without being sensitive to misorientations of the used single crystal. Subsequently, we apply the RUS method to single crystals of three typical examples of shape memory alloys (Cu-Al-Ni, Ni-Mn-Ga, and NiTi), and d

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Kuandykov, L. L., and S. I. Bakholdin. "Redistribution of thermoelastic stresses in shaped crystals: Numerical simulation." Crystallography Reports 49, no. 2 (2004): 169–74. http://dx.doi.org/10.1134/1.1690409.

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Zhang, Yu, Xin Wen, Nuofu Chen, Fang Zhang, Jikun Chen, and Wenrui Hu. "Effects of Surface Size and Shape of Evaporation Area on SiC Single-Crystal Growth Using the PVT Method." Crystals 14, no. 2 (2024): 118. http://dx.doi.org/10.3390/cryst14020118.

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Silicon carbide (SiC) polycrystalline powder. As the raw material for SiC single-crystal growth through the physical vapor transport (PVT) method, its surface size and shape have a great influence on growth of crystal. The surface size and shape of the evaporation area filled with polycrystalline powder were investigated by numerical simulation in this study. Firstly, the temperature distribution and deposition rate distribution for the PVT system were calculated by global numerical simulation, and the optimal ratio of polycrystalline powder surface diameter to seed crystal diameter was determ

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Bobrovs, Raitis, Līga Mitriķe, and Andris Actiņš. "The solvent effect on the crystal morphology of two tegafur polymorphs." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1687. http://dx.doi.org/10.1107/s2053273314083120.

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Pharmaceutical compounds are mostly produced in defined crystalline forms that are usually crystallized from solutions. Polymorphs, different crystalline phases of the same pharmaceutical compound, usually have different, precisely known dissolution rates and bioavailability, but crystal size and shape can affect these properties. Therefore, the crystal shape is monitored during the drug manufacturing process and a lot of work in the area of crystal engineering has been devoted to crystal habit control [1]. The crystallization solvent can have a significant effect on the resulting crystal shap

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Woo, Tae-Gyu, Jong-Jae Park, and Il-Song Park. "Initial Behavior of Additives and Mechanical Properties of Copper Foils on High Current Density." Korean Journal of Metals and Materials 59, no. 5 (2021): 304–13. http://dx.doi.org/10.3365/kjmm.2021.59.5.304.

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In this study, we studied the surface and mechanical properties of multiple additives as well as the initial plating properties of individual additives. With the individual additive groups, copper crystals tended to converge at a stage above the critical amount of additive. When chloride ions were added, large crystals formed at several places on the surface. Thereafter, small crystals were attached to and grew on the surface of the large crystals. When collagen and JGB (Janes Green B) were added individually, the crystals were more uniformly distributed on the surface as compared with the gro

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Zisman, A. A., Nikolay Y. Zolotorevsky, and N. Yu Ermakova. "Local Texture Evolution by Rate-Independent Polycrystal Model Allowing for Coordination of Interacting Crystals." Materials Science Forum 495-497 (September 2005): 965–70. http://dx.doi.org/10.4028/www.scientific.net/msf.495-497.965.

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A rate-independent polycrystal model, allowing for the shape and spatial coordination of neighboring constitutive crystals and for the plastic strain distribution among them, has been used to simulate the local texture evolution in an Al polycrystal under compression. The simulation results compare favourably to relevant experimental data and show the reorientation path of each crystal to strongly depend on orientations of its immediate neighbors.

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Stoica, A. D., M. Popovici, and W. B. Yelon. "Instrumental line shapes in neutron powder diffraction with focusing monochromators." Journal of Applied Crystallography 33, no. 1 (2000): 137–46. http://dx.doi.org/10.1107/s0021889899014454.

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The optics of neutron powder diffractometers with bent-crystal monochromators is considered with respect to the computation of instrumental line shapes, accounting for second-order aberrations. A procedure of Monte Carlo simulation of instrumental line shapes has been developed. An analytical approximation of these shapes is described. Computational results for the case of the MURR diffractometer with position-sensitive detection and a focusing silicon monochromator are presented.

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Kaloudis, Emmanouil Kaniolakis, Konstantinos Kaleris, Nikos Aravantinos-Zafiris, et al. "Evaluating the Role of Unit Cell Multiplicity in the Acoustic Response of Phononic Crystals Using Laser-Plasma Sound Sources." Materials 18, no. 6 (2025): 1251. https://doi.org/10.3390/ma18061251.

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Acoustic metamaterials and phononic crystals are progressively consolidating as an important technology that is expected to significantly impact the science and industry of acoustics in the coming years. In this work, the impact of unit cell multiplicity on the spectral features of the acoustic response of phononic crystals is systematically studied using the recently demonstrated laser-plasma sound source characterization method. Specifically, by exploiting the advantages of this method, the impact of the number of repeated unit cells on the depth of the phononic band gaps and the passband sp

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Jiang, Caishui, Junming Wu, Jianer Zhou, Ting Luo, Qifu Bao, and Kun Liu. "Formation Mechanism of Crystal Spots in Jian Kiln Oil-Spot Glaze Revealed by Simulation Experiments." Applied Sciences 14, no. 22 (2024): 10210. http://dx.doi.org/10.3390/app142210210.

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The crystalline morphology and glaze color of Jian Kiln oil-spot glaze porcelain exhibit artistic beauty, making it one of the typical representatives of iron-based crystallized black porcelain from the Song Dynasty in China. This study sampled a series of specimens from key temperature points during simulation experiments, employing rapid air quenching to preserve the high-temperature state, capturing the formation process of oil-spot glaze crystals in Jian kiln ceramics. Key samples were subjected to microscopic structure and phase analysis using scanning electron microscopy (SEM), laser Ram

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Krevet, Berthold, and Manfred Kohl. "Modeling and FEM Simulation of Shape Memory Microactuators." Materials Science Forum 583 (May 2008): 229–56. http://dx.doi.org/10.4028/www.scientific.net/msf.583.229.

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This article reports on two models for the shape memory effect and explains, how they are implemented in a finite element method program. The first model uses a phenomenological approach. For the example of a microgripper, the performance prediction of real actuators made of polycrystalline materials is demonstrated. In the second model, the martensite-austenite phase transition is treated as a thermodynamically activated process. Thermodynamic laws, like e.g. the minimization of the Gibbs free energy, are used for the formulation. To simplify the model, it is primarily intended to describe th

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Xu, Biaogang, Dengguo Zhang, Yong Wang, and Wenlong He. "A Millimeter-Wave Y-Shaped Circulator Based on Magneto Photonic Crystals." Journal of Nanoelectronics and Optoelectronics 17, no. 10 (2022): 1366–69. http://dx.doi.org/10.1166/jno.2022.3315.

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In this paper, a millimeter-wave Y-shaped circulator based on magneto photonic crystals is demonstrated. The triangular lattice photonic crystal with Y-shaped line defect waveguide is constructed by Al2O3 ceramic posts. The magneto-optical cavity resonator in the junction of Y-shaped waveguide consists of two cylindrical ferrites and two triangular metal pedestals. The transmission characteristics of the circulator experimented under the external magnetic bias H0 = 300 Gs. In working frequency range 24∼28 GHz the isolation of circulator is better than 20 dB, and the best insertion loss is as l

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Kinoshita, Takahiro, Takashi Kawakami, Katsuyuki Kawamura, and Tsutomo Mashimo. "MD Simulation of Ionic Crystal under Strong Gravitational Field." Defect and Diffusion Forum 363 (May 2015): 151–55. http://dx.doi.org/10.4028/www.scientific.net/ddf.363.151.

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Molecular dynamics (MD) simulations were performed to investigate unique crystalline states of typical ionic crystal at condition of a strong gravitational field (one million G). The simulation results showed that lattice vibration spectra of anion and cation along the gravity direction were different from the spectra along normal directions of the gravity. It is also shown that the shapes of spectra along the gravity are obviously different from the others along normal directions of the gravity. In addition, the peaks of spectra along the gravity were shifted. The simulation results showed th

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Kohn, V. G. "COMPUTER SIMULATION OF THE EFFECT OF COHERENT DYNAMICAL DIFFRACTION OF SYNCHROTRON RADIATION IN CRYSTALS OF ARBITRARY SHAPE AND STRUCTURE." Кристаллография 68, no. 2 (2023): 196–203. http://dx.doi.org/10.31857/s002347612302008x.

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A new scheme for the numerical solution of Takagi–Taupin equations, which makes it possible to simulate the effect of synchrotron radiation diffraction in crystals of arbitrary structure, is described in detail. The new scheme is convenient to perform calculations for crystals of arbitrary shape. The rectangular coordinate system and the algorithm for calculating derivatives at half of step have proven their efficiency and are used, but the recurrence equations of this algorithm have been modified towards simplification. The boundary conditions are in no way related to the crystal boundaries.

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Surovovs, Kirils, Maksims Surovovs, Andrejs Sabanskis, et al. "Numerical Simulation of Species Segregation and 2D Distribution in the Floating Zone Silicon Crystals." Crystals 12, no. 12 (2022): 1718. http://dx.doi.org/10.3390/cryst12121718.

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The distribution of dopants and impurities in silicon grown with the floating zone method determines the electrical resistivity and other important properties of the crystals. A crucial process that defines the transport of these species is the segregation at the crystallization interface. To investigate the influence of the melt flow on the effective segregation coefficient as well as on the global species transport and the resulting distribution in the grown crystal, we developed a new coupled numerical model. Our simulation results include the shape of phase boundaries, melt flow velocity a

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Luo, Yu Feng, Hua Wei Song, Fa Yun Zhang, et al. "The Simulation of Thermal Stress Field for Polysilicon Crystal in Different Shapes of Crucible." Advanced Materials Research 926-930 (May 2014): 286–91. http://dx.doi.org/10.4028/www.scientific.net/amr.926-930.286.

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The thermal stress field in the polysilicon was simulated and comparatively analyzed at different shapes of crucibes which have different types of a flat, a inverted-conical and concave bottom by COMSOL Multiphysics version 4.3a. The results indicated that: within the flat-bottomed crucible ,the isotherm in the crystal was slightly convex and the area of the maximum thermal stress was distributed in the bottom of the crystal edge and near the top of crystal edge; within the inverted-cone crucible, the isotherm in the crystal was straight and the area of the maximum thermal stress was only dist

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