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Holmium-doped TbVO4 as a highly potential magneto-optical crystal for Faraday isolator 掺钬 TbVO4 作为一种极具潜力的磁光晶体用于法拉第隔离器
IF 1.8 4区 材料科学 Q2 Physics and Astronomy Pub Date : 2024-06-15 DOI: 10.1016/j.jcrysgro.2024.127795
Wenyu He, Hu Liu, Ziqi Guo, Xianchao Zhu

Tb1-xHoxVO4 (THV) magneto-optical crystal with diameter of 27 mm and length of 40 mm was grown by the Czochralski (Cz) technique for the first time. The structural perfection of THV crystal was studied by the high-resolution X-ray diffraction rocking curve measurement, proving the high crystallinity quality of THV. THV shows high transmittance of greater than 75 % within the wavelength range of 665–1600 nm. The Verdet constants of THV at 532, 633 and 1064 nm are 370, 226 and 56 rad·m−1T−1, 40 %–95 % higher than these of commercial TGG crystal. Additionally, THV exhibits lower absorption coefficient (0.05 cm−1), higher magneto-optical figure of merit (175 deg/dB) and extinction ratio (43 dB) at 1064 nm compared with TGG. Evaluation of thermal performance and laser-induced damage threshold of THV were also made to promote the potential application in high-power optical isolators.

首次采用 Czochralski(Cz)技术生长出直径为 27 毫米、长度为 40 毫米的 Tb1-xHoxVO4 (THV)磁光学晶体。通过高分辨率 X 射线衍射摇摆曲线测量研究了 THV 晶体的完美结构,证明了 THV 晶体的高结晶性。在 665-1600 纳米波长范围内,THV 的透射率大于 75%。THV 在 532、633 和 1064 纳米波长的维尔德常数分别为 370、226 和 56 rad-m-1T-1,比商用 TGG 晶体的维尔德常数高 40%-95%。此外,与 TGG 相比,THV 在 1064 纳米波长处的吸收系数(0.05 cm-1)更低、磁光系数(175 deg/dB)和消光比(43 dB)更高。此外,还对 THV 的热性能和激光诱导损伤阈值进行了评估,以促进其在大功率光隔离器中的潜在应用。
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引用次数: 0
Ce3+ ion-induced distortion in a perovskite-structured KMgF3 single crystal 包晶结构 KMgF3 单晶中由 Ce3+ 离子诱发的畸变
IF 1.7 4区 材料科学 Q3 CRYSTALLOGRAPHY Pub Date : 2024-06-13 DOI: 10.1016/j.jcrysgro.2024.127787
Mayrene A. Uy , Angelo P. Rillera , Keito Shinohara , Melvin John F. Empizo , Toshihiko Shimizu , Kohei Yamanoi , Akira Yoshikawa , Nobuhiko Sarukura , Hitoshi Abe

We investigate the local structural distortion induced by

ion in a (cubic) perovskite-structured KMgF3 crystal for potential vacuum ultraviolet (VUV) applications. The crystal with 1.0 mol% nominal doping concentration exhibits five absorption bands centered at 196, 203, 209, 227, and 233 nm and two emission bands centered at 266 and 282 nm. These absorption and emission bands are attributed to the 4f5d transitions of the
ion. Our Ce K- and
-edge XAS analyses confirm the presence of
oxidation state in the KMgF3 crystal. Our analyses reveal a significantly distorted coordination environment which has a coordination number (CN) of 5.03±0.55 and an average Ce–F bond length of 2.44±0.01 Å. Strong mixing of the 4f and 5d states and large ligand-field effects are also implied in the Ce
-edge XANES spectrum, as evidenced by an intense pre-edge peak. Optically, these mixing and ligand field effects conform to the large crystal field splitting of 1.03 eV (8285
). Although this was the case,
-doped KMgF3 remains a candidate VUV optical material due to its small Stokes shift of 0.64eV (5141
).

我们研究了离子在(立方)包晶石结构的 KMgF3 晶体中引起的局部结构畸变,该晶体具有潜在的真空紫外线(VUV)应用前景。标称掺杂浓度为 1.0 摩尔的晶体显示出以 196、203、209、227 和 233 纳米为中心的五个吸收带和以 266 和 282 纳米为中心的两个发射带。这些吸收带和发射带归因于离子的 4f-5d 转变。我们的 Ce K- 和 - 边 XAS 分析证实了 KMgF3 晶体中存在氧化态。我们的分析揭示了一个明显扭曲的配位环境,其配位数(CN)为 5.03±0.55,Ce-F 键的平均长度为 2.44±0.01 Å。4f 和 5d 态的强烈混合和巨大的配体场效应也隐含在 Ce -edge XANES 光谱中,一个强烈的前沿峰就是证明。从光学角度来看,这些混合效应和配体场效应与 1.03 eV 的大晶体场分裂(8285)相一致。尽管如此,掺杂的 KMgF3 仍然是一种候选的紫外光学材料,因为它的斯托克斯位移很小,只有 0.64eV (5141 )。
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引用次数: 0
X-ray computed tomography for 3D crystallization monitoring: A use case with paracetamol 用于三维结晶监测的 X 射线计算机断层扫描:扑热息痛应用案例
IF 1.7 4区 材料科学 Q2 Physics and Astronomy Pub Date : 2024-06-13 DOI: 10.1016/j.jcrysgro.2024.127794
Sébastien Clercq , Jérôme Vicente , Philippe Moulin

This work highlights the capabilities and limits of X-ray computed tomography in crystallization monitoring through a use case involving paracetamol as the solute, recrystallized from ethanol, methanol, or a mixture of both. The cooling crystallization operation was set up in two different containers, prepared with cotton yarns stretched vertically, acting as linear nucleation sites that immobilize the grown crystals in the recording area. The largest container (10 mL test tubes) allowed the acquisition of a larger number of crystals (up to 300 particles) for a more appropriate bulk analysis. The smallest container (5 mL pipette tips) allowed for a finer resolution of the recorded solid phase at the expense of a reduced recording volume. Crystallization was monitored in terms of the number of individual crystals, their size, and the overall volume, thus leading to the nucleation and growth rates, and solid-phase production rate. The main benefit of X-ray computed tomography is in the 3D analysis of the reconstructed solid phase. The crystal habit of paracetamol form I was predicted using force-field modeling. The predicted habit was in great accordance with the reconstructed solids, confirming the polymorphic form. Furthermore, face-specific growth rates of reconstructed crystals were measured, paving the way for a novel approach to the investigation of crystal-solvent interactions.

这项研究通过一个以扑热息痛为溶质,从乙醇、甲醇或两者的混合物中重结晶的应用案例,强调了 X 射线计算机断层扫描技术在结晶监测方面的能力和局限性。冷却结晶操作在两个不同的容器中进行,容器中的棉纱垂直拉伸,作为线性成核点,将生长的晶体固定在记录区域。最大的容器(10 mL 试管)可以采集更多的晶体(多达 300 个颗粒),以便进行更适当的批量分析。使用最小的容器(5 mL 移液器吸头)可获得更精细的固相记录分辨率,但记录体积有所减少。根据单个晶体的数量、大小和总体积监测结晶情况,从而得出成核率、生长率和固相生成率。X 射线计算机断层扫描的主要优势在于对重建的固相进行三维分析。利用力场模型预测了扑热息痛 I 型的晶体习性。预测的习性与重建的固相非常吻合,证实了其多晶形态。此外,还测量了重建晶体的特定面生长率,为研究晶体与溶剂的相互作用铺平了道路。
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引用次数: 0
Growth of AlGaN alloys with ∼ 90 % AlN mole fraction by plasma-assisted molecular beam epitaxy: Indication of phase-segregation effects 通过等离子体辅助分子束外延生长 AlGaN 摩尔分数为 90% 的 AlGaN 合金:相分离效应的迹象
IF 1.8 4区 材料科学 Q2 Physics and Astronomy Pub Date : 2024-06-13 DOI: 10.1016/j.jcrysgro.2024.127792
Pushan Guha Roy , Sayantani Sen , Chirantan Singha , Anirban Bhattacharyya

AlGaN alloys with very high AlN mole fraction (∼90 %) were grown by plasma-assisted molecular beam epitaxy (PA-MBE) and their alloy properties were investigated by high-resolution X-ray diffraction (HR-XRD) measurements. Growth was carried out employing a series of group III/V ratios and for samples grown under a high group-III regime, phase-segregation in the alloy was evident from a characteristic splitting of the AlGaN (0002) peak in the HR-XRD pattern. With decreasing excess group-III conditions the separation of peak positions continuously reduced, till a single peak was observed. However, for samples where such splitting was absent, spontaneous superlattice peaks were seen at lower incident angles of the XRD patterns indicating the presence of long-range atomic ordering (LRAO). Thus, for AlGaN alloys with extremely high Al content, effects of phase-segregation, or of LRAO were observed, depending on the kinetics of growth. These results on phase-segregation effects are expected to promote the development of high-efficiency deep ultraviolet emitters for skin-safe germicidal action by mitigating the detrimental effect of dislocations and related non-radiative recombination centers through carrier localization processes at potential minima.

通过等离子体辅助分子束外延(PA-MBE)生长出了具有极高 AlN 分子分数(∼ 90 %)的 AlGaN 合金,并通过高分辨率 X 射线衍射(HR-XRD)测量研究了其合金特性。生长过程采用了一系列 III/V 族比,对于在高 III 族条件下生长的样品,合金中的相分离从 HR-XRD 图形中 AlGaN (0002) 峰的特征性分裂中显而易见。随着 III 族过量条件的降低,峰位置的分离不断减小,直至观察到单一峰。然而,对于不存在这种分离的样品,在 XRD 图样的较低入射角处可以看到自发的超晶格峰,这表明存在长程原子有序(LRAO)。因此,对于铝含量极高的 AlGaN 合金,根据生长动力学的不同,可以观察到相分离或 LRAO 的影响。这些关于相分离效应的研究结果有望通过载流子在电位极小值处的定位过程,减轻位错和相关非辐射重组中心的有害影响,从而促进高效深紫外发射器的开发,达到皮肤安全杀菌的目的。
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引用次数: 0
Numerical modelling of melting front structures during floating zone silicon crystal growth 浮动区硅晶体生长过程中熔融前沿结构的数值模拟
IF 1.7 4区 材料科学 Q2 Physics and Astronomy Pub Date : 2024-06-12 DOI: 10.1016/j.jcrysgro.2024.127788
Maksims Surovovs , Maija Sjomkane , Janis Virbulis , Gundars Ratnieks

We propose a mathematical model of the thin molten silicon film to describe the quasi-steady shape of the inhomogeneous structures on the open melting front of polycrystalline feed rod during the floating zone process for single crystal silicon growth. As a result, precise shapes of the phase boundaries in a three-phase environment on a local scale were determined with the use of moving meshes. The presence of the local structures influences the heat transfer on the open melting front. Consequently, the global phase boundary model can be adjusted, resulting in improved agreement with the experimentally measured interface shape.

我们提出了一种熔融硅薄膜数学模型,用于描述单晶硅生长浮区过程中多晶进料棒开放式熔化前沿上不均匀结构的准稳定形状。因此,利用移动网格确定了三相环境中相界在局部尺度上的精确形状。局部结构的存在会影响开放熔化前沿的传热。因此,可以调整全局相边界模型,从而提高与实验测量界面形状的一致性。
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引用次数: 0
Crystal growth of the R2PdSi3 (R= rare earth) materials using the optical floating zone technique R2PdSi3 (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML
IF 1.7 4区 材料科学 Q2 Physics and Astronomy Pub Date : 2024-06-08 DOI: 10.1016/j.jcrysgro.2024.127774
D.A. Mayoh, A. Štefančič, M.R. Lees, G. Balakrishnan

The rare-earth palladium silicides host an array of complex magnetic phases. In this paper, we report the growth of large single crystals of the R2PdSi3 family, (where R= Ce, Nd, Gd, Tb, Ho and Er) by the floating zone technique using a high-power xenon arc-lamp furnace. The crystal boules obtained have been examined for their quality using x-ray diffraction techniques, elemental analysis, and their magnetic properties have been investigated through temperature dependent magnetisation measurements.

稀土钯硅化物具有一系列复杂的磁性相。在本文中,我们报告了利用大功率氙灯电弧炉,通过浮区技术生长 R2PdSi3 家族(其中 R= Ce、Nd、Gd、Tb、Ho 和 Er)大型单晶体的情况。利用 X 射线衍射技术和元素分析对获得的晶体束进行了质量检测,并通过温度相关磁化测量对其磁性能进行了研究。
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引用次数: 0
Rapid, low-cost exploration of nucleation rates in l-glutamic acid crystallization in pure media and the presence of polymers through novel parallel experimentation 通过新颖的平行实验,快速、低成本地探索纯介质和聚合物存在时 l-谷氨酸结晶的成核率
IF 1.8 4区 材料科学 Q2 Physics and Astronomy Pub Date : 2024-06-08 DOI: 10.1016/j.jcrysgro.2024.127786
Khadijeh Firoozirad, Botond Szilágyi

Crystal nucleation is crucial in various fields of science and technology, ranging from materials synthesis to pharmaceutical production. Our research aims to determine the nucleation rates from parallel induction time measurement experiments followed by low-cost external bulk video imaging. Stirred conditions are applied, making our results industry-relevant where the crystallizers are also mixed. The L-Glutamic Acid-water system (L-GA/water) is used as a surrogate. The study is conducted through a series of parallel, small-scale stirred experiments that explore the effects of supersaturation, temperature, and polymer additives on nucleation rates. The methodology involves careful data collection through controlled experimental setup and analysis of induction time distributions that the stochastic nature of nucleation explains the induction time distribution. The discussion section interprets the findings within the context of the research question, highlighting the implications of varying temperature and supersaturation levels as two experimental parameters and polymers on crystal nucleation rates. The specific parameters of supersaturation and temperature dependencies are in the range of those reported in the literature, which validated the developed rapid nucleation rate measurement platform. Stepping outside of these established measurements, analyzing the influence of polymers with high potential in controlling particle size, shape, and polymorphism was touched as well. As an unexpected result, the nucleation rates appeared to depend not only on the chemical structure and amount of the polymer but also on the polymer solution preparation method. The remarkable influence of polymers on nucleation rates was shown that cannot be explained with the solubility altering effect of the polymers alone.

晶体成核在从材料合成到药品生产等各个科技领域都至关重要。我们的研究旨在通过平行感应时间测量实验确定成核率,然后进行低成本的外部批量视频成像。由于采用了搅拌条件,因此我们的研究结果与结晶器也是混合的行业相关。我们使用 L-谷氨酸-水体系(L-GA/水)作为替代物。该研究通过一系列平行的小规模搅拌实验来探索过饱和度、温度和聚合物添加剂对成核率的影响。研究方法包括通过受控实验设置仔细收集数据,并分析成核的随机性解释了诱导时间分布。讨论部分根据研究问题解释了研究结果,强调了不同温度和过饱和度这两个实验参数以及聚合物对晶体成核率的影响。过饱和度和温度依赖性的具体参数在文献报道的范围内,这验证了所开发的快速成核率测量平台。在这些既定测量之外,我们还分析了在控制颗粒大小、形状和多态性方面具有巨大潜力的聚合物的影响。结果出乎意料,成核率似乎不仅取决于聚合物的化学结构和数量,还取决于聚合物溶液的制备方法。聚合物对成核率的显著影响无法仅用聚合物的溶解度改变作用来解释。
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引用次数: 0
Growth and transition of dendrites in steel strands under different electromagnetic stirring methods 不同电磁搅拌方法下钢绞线中树枝状晶粒的生长和转变
IF 1.8 4区 材料科学 Q2 Physics and Astronomy Pub Date : 2024-06-08 DOI: 10.1016/j.jcrysgro.2024.127789
Engang Wang , Zhongxin Zhai

In the industrial continuous casting process, some central defects such as shrinkage cavity, porosity, segregation and crack are generated especially at the final solidification zone of steel strands because of the poor fluidity and feeding ability of molten steel in the center of strand, especially for the special steel strand. In this paper, a new type of vertical linear electromagnetic stirring (V-LEMS) was proposed to apply in the casting of Incoloy 825 alloy ingot and investigate the growth and transition of dendrites, distribution of Ti in the special steel, and compare its effect with the generally conventional industrial rotary electromagnetic stirring (R-EMS). The results shown that the growth direction of primary dendrite under R-EMS is perpendicular to the mold wall, but the primary dendrite growth under V-LEMS have present an upstream dendrite growth state. It proves that the V-LEMS can generate a longitudinal circulation convection in the height direction of ingot, which can strengthen the temperature and composition mixing of the upper and lower melts of the ingot and promote the homogenization of the overall melt temperature and composition. The radial macrosegregation of Ti under V-LEMS is slightly higher than that of R-EMS, but R-EMS tends to increase the longitudinal macrosegregation of Ti element. The longitudinal macrosegregation degree of Ti element under V-LEMS is less than that without EMS and with R-EMS. V-LEMS makes the longitudinal distribution of Ti element in Incoloy 825 alloy ingot more uniform. The research results give some beneficial suggestions for improving the central quality of special steel continuous casting billet.

在工业连铸过程中,由于钢水在钢绞线中心的流动性差、喂入能力差,特别是在特殊钢绞线的最终凝固区,会产生一些中心缺陷,如缩孔、气孔、偏析和裂纹等。本文提出了一种新型垂直直线电磁搅拌(V-LEMS),将其应用于 Incoloy 825 合金钢锭的铸造,研究了特殊钢中树枝晶的生长和转变、Ti 的分布,并将其效果与一般传统的工业旋转电磁搅拌(R-EMS)进行了比较。结果表明,R-EMS 条件下原始枝晶的生长方向垂直于模壁,而 V-LEMS 条件下原始枝晶的生长呈现出上游枝晶生长状态。这证明 V-LEMS 能在铸锭高度方向产生纵向循环对流,加强铸锭上下熔体的温度和成分混合,促进整体熔体温度和成分的均匀化。V-LEMS 条件下 Ti 的径向宏观偏析程度略高于 R-EMS,但 R-EMS 有增加 Ti 元素纵向宏观偏析的趋势。在 V-LEMS 条件下,Ti 元素的纵向大偏析度低于无 EMS 和有 R-EMS 条件下的纵向大偏析度。V-LEMS 使 Incoloy 825 合金铸锭中 Ti 元素的纵向分布更加均匀。研究结果为提高特殊钢连铸坯的中心质量提供了一些有益的建议。
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引用次数: 0
Eutectic mixtures containing the active pharmaceutical ingredient ezetimibe: Phase diagrams, solid state characterization and dissolution profiles 含有活性药物成分依折麦布的共晶混合物:相图、固态表征和溶解曲线
IF 1.8 4区 材料科学 Q2 Physics and Astronomy Pub Date : 2024-06-07 DOI: 10.1016/j.jcrysgro.2024.127775
Pedro Yuri Gerônimo Kobata, Julian Ticona Chambi, Ana Maria do Espirito Santo, Silvia Lucia Cuffini

Cardiovascular disease represents the leading cause of death worldwide, according to the World Health Organization (WHO) report. One of the treatment strategies is the use of the drug ezetimibe (EZT). This drug is a cholesterol absorption inhibitor with low aqueous solubility, which affects its therapeutic efficacy. The purpose of this paper was to obtain eutectic materials of EZT with methylparaben (MPB), salicylic acid (SCA) and nicotinamide (NTM) coformers, and to study their phase diagrams, dissolution properties and hygroscopicity to assess possible enhancements. Phase and Tamman diagrams were constructed using differential scanning calorimetry (DSC) results. The eutectic materials were characterized by powder X-ray diffraction (PXRD) and polarized light optical microscopy (OM). The hygroscopicity of the materials was assessed at different relative humidities (RH) through dynamic vapor sorption (DVS). The dissolution study was conducted with the materials in powder form, with paddle dissolution, rotating at 50 rpm, in 900 mL of aqueous buffer solution at pH 6.8 and 37 °C. The phase diagrams demonstrated that EZT formed eutectic systems with eutectic molar fractions of 0.59, 0.67 and 0.69 for EZT-SCA, EZT-NTM and EZT-MPB, respectively. The three eutectic materials are characterized as microcrystalline conglomerates of their components. In terms of the hygroscopic behavior of EZT at different RHs, eutectic materials demonstrated lower susceptibility to monohydrate formation compared to the anhydrous form. In dissolution studies, EZT-SCA and EZT-MPB solubilized EZT in amounts 22 % higher than the pure drug in 15 min. On the other hand, EZT-NTM eutectic suppressed the dissolution of EZT down to 56 % at the same time. The results indicated the possibility of obtaining materials with enhanced properties using eutectic mixtures, with improved dissolution rates and hygroscopic stability.

根据世界卫生组织(WHO)的报告,心血管疾病是导致全球死亡的主要原因。治疗策略之一是使用药物依折麦布(EZT)。这种药物是一种胆固醇吸收抑制剂,水溶性低,影响了其疗效。本文旨在获得 EZT 与苯甲酸甲酯(MPB)、水杨酸(SCA)和烟酰胺(NTM)共聚物的共晶材料,并研究其相图、溶解特性和吸湿性,以评估可能的增强效果。利用差示扫描量热仪(DSC)的结果构建了相图和塔曼图。粉末 X 射线衍射(PXRD)和偏振光光学显微镜(OM)对共晶材料进行了表征。在不同的相对湿度(RH)下,通过动态蒸汽吸附(DVS)评估了材料的吸湿性。在 pH 值为 6.8、温度为 37 ℃ 的 900 mL 缓冲水溶液中,以 50 rpm 的转速对粉末状材料进行了溶解研究。相图显示,EZT 形成了共晶体系,EZT-SCA、EZT-NTM 和 EZT-MPB 的共晶摩尔分数分别为 0.59、0.67 和 0.69。这三种共晶材料的特征是其组分的微晶聚合体。就 EZT 在不同相对湿度下的吸湿行为而言,共晶材料与无水形式相比更容易形成一水合物。在溶解研究中,EZT-SCA 和 EZT-MPB 在 15 分钟内溶解的 EZT 量比纯药物高出 22%。另一方面,EZT-NTM 共晶在同一时间内将 EZT 的溶解抑制了 56%。这些结果表明,利用共晶混合物可以获得性能更强的材料,提高溶解速率和吸湿稳定性。
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引用次数: 0
Influence of magnetic field on growth kinetics of sodium chlorate crystals from aqueous solution 磁场对水溶液中氯酸钠晶体生长动力学的影响
IF 1.8 4区 材料科学 Q2 Physics and Astronomy Pub Date : 2024-06-07 DOI: 10.1016/j.jcrysgro.2024.127776
Milica M. Milojević, Andrijana A. Žekić, Biljana Z. Maksimović, Branislava M. Vučetić, Mićo M. Mitrović

The results of the study of the influence of a static magnetic field of 55 ± 3 mT on the face growth kinetics of sodium chlorate crystals in the supersaturation range of (0.89–1.78) % are presented. The supersaturation dependence of growth rate was analyzed using different theoretical models and the kinetic parameters of crystal growth in zero and in the applied magnetic field were estimated. It is shown that in both types of experiments the observed crystals grew by a complex dislocation source. Analysis of the growth rate distribution by using the Weibull distribution function was performed to obtain the maximum growth rate Rmax depending on their corresponding initial length lmax. The linear relationship between these quantities is derived from the model of growth by a group of cooperating screw dislocations. It was observed that both the initial size threshold l*max and the slope dRmax/dlmax exhibit higher values in the presence of a magnetic field.

本文介绍了 55 ± 3 mT 的静态磁场对氯酸钠晶体在过饱和度 (0.89-1.78) % 范围内的面生长动力学影响的研究结果。利用不同的理论模型分析了晶体生长速率与过饱和度的关系,并估算了零磁场和外加磁场下晶体生长的动力学参数。结果表明,在这两种类型的实验中,观察到的晶体都是通过复杂的位错源生长的。通过使用 Weibull 分布函数对生长率分布进行分析,得出了取决于相应初始长度 lmax 的最大生长率 Rmax。这些量之间的线性关系是由一组合作的螺旋位错生长模型推导出来的。研究发现,在磁场存在的情况下,初始尺寸阈值 l*max 和斜率 dRmax/dlmax 都表现出更高的值。
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引用次数: 0
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Journal of Crystal Growth
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