• Acta Physica Sinica
  • Vol. 68, Issue 7, 076401-1 (2019)
Yuan Li and Ping Peng*
DOI: 10.7498/aps.68.20182188 Cite this Article
Yuan Li, Ping Peng. Identification and tracking of different types of crystalline nucleiduring isothermal crystallization of amorphous Ag[J]. Acta Physica Sinica, 2019, 68(7): 076401-1 Copy Citation Text show less
(a) Systemic total energy per atom E and (b) pair distribution function g(r) as a function of relaxation time t.(a)体系平均每个原子能量E与(b)双体分布函数g(r)随弛豫时间t的变化
Fig. 1. (a) Systemic total energy per atom E and (b) pair distribution function g(r) as a function of relaxation time t. (a)体系平均每个原子能量E与(b)双体分布函数g(r)随弛豫时间t的变化
(a) Variation of number Ntotal of various crystalline atoms with relaxation time t; (b) their spatial distributions at several special times, where red, green and blue balls represent fcc, hcp and bcc atoms, respectively.(a)典型晶体原子数目Ntotal随弛豫时间t的变化; (b)特征时间节点三类晶体原子的空间分布(红色、绿色和蓝色球分别表示fcc, hcp和bcc原子)
Fig. 2. (a) Variation of number Ntotal of various crystalline atoms with relaxation time t; (b) their spatial distributions at several special times, where red, green and blue balls represent fcc, hcp and bcc atoms, respectively. (a)典型晶体原子数目Ntotal随弛豫时间t的变化; (b)特征时间节点三类晶体原子的空间分布(红色、绿色和蓝色球分别表示fcc, hcp和bcc原子)
Schematic diagram of VS-, ES-, FS- and IS-linkages between two basic fcc clusters, where red, gray and orange balls represent core atoms, shell atoms and shared atoms, respectively.fcc基本原子团的四种连接方式示意图 (红色、灰色和橙色球分别表示中心原子、表面原子和共享原子)
Fig. 3. Schematic diagram of VS-, ES-, FS- and IS-linkages between two basic fcc clusters, where red, gray and orange balls represent core atoms, shell atoms and shared atoms, respectively.fcc基本原子团的四种连接方式示意图 (红色、灰色和橙色球分别表示中心原子、表面原子和共享原子)
Schematic diagram of three kinds of fcc extended clusters and their core atoms. Red, green and gray balls represent fcc, hcp, and other shell atoms, respectively. The solid line and dot line between core atoms represent IS-linkages and FS-linkages between fcc basic clusters, respectively. (a) Single-crystal cluster; (b) poly-crystal cluster; (c) hydrid-crystal cluster.三种fcc扩展晶体团簇及其芯部原子示意图(红色、绿色和灰色球分别表示fcc原子、hcp原子和其他表面原子, 芯原子间实线表示IS联结, 虚线表示FS联结) (a)单晶团簇; (b)多晶团簇; (c)混晶团簇
Fig. 4. Schematic diagram of three kinds of fcc extended clusters and their core atoms. Red, green and gray balls represent fcc, hcp, and other shell atoms, respectively. The solid line and dot line between core atoms represent IS-linkages and FS-linkages between fcc basic clusters, respectively. (a) Single-crystal cluster; (b) poly-crystal cluster; (c) hydrid-crystal cluster.三种fcc扩展晶体团簇及其芯部原子示意图(红色、绿色和灰色球分别表示fcc原子、hcp原子和其他表面原子, 芯原子间实线表示IS联结, 虚线表示FS联结) (a)单晶团簇; (b)多晶团簇; (c)混晶团簇
Number of core atoms n(t) and heritable fraction f(t) of traced fcc extended clusters as a function of relaxation time t.被追踪fcc团簇芯原子数目n(t)及其可遗传分数f(t)随弛豫时间t的变化
Fig. 5. Number of core atoms n(t) and heritable fraction f(t) of traced fcc extended clusters as a function of relaxation time t. 被追踪fcc团簇芯原子数目n(t)及其可遗传分数f(t)随弛豫时间t的变化
Schematic diagram of heredity and evolution of core atoms in the traced single-crystal cluster. Dark and light red balls represent heritable atoms and other atoms without heredity in transient and continuous heredities, respectively.fcc单晶团簇芯原子的遗传与演化示意图. 左边为瞬态遗传, 右边为连续遗传, 深红色与浅红色球分别表示在两种遗传模式中可遗传和不具有遗传性的原子
Fig. 6. Schematic diagram of heredity and evolution of core atoms in the traced single-crystal cluster. Dark and light red balls represent heritable atoms and other atoms without heredity in transient and continuous heredities, respectively.fcc单晶团簇芯原子的遗传与演化示意图. 左边为瞬态遗传, 右边为连续遗传, 深红色与浅红色球分别表示在两种遗传模式中可遗传和不具有遗传性的原子
Schematic diagram of critical crystalline nuclei and their core atoms. Red, green, blue and gray balls denote fcc, hcp, bcc and other shell atoms, respectively. (a) Single-crystal; (b) poly-crystal; (c) hydrid-crystal.三种类型fcc临界晶核示意图 (a)单晶核; (b)多晶核; (c)混晶核(红色、绿色、蓝色和灰色球分别表示fcc, hcp, bcc和其他表面原子)
Fig. 7. Schematic diagram of critical crystalline nuclei and their core atoms. Red, green, blue and gray balls denote fcc, hcp, bcc and other shell atoms, respectively. (a) Single-crystal; (b) poly-crystal; (c) hydrid-crystal.三种类型fcc临界晶核示意图 (a)单晶核; (b)多晶核; (c)混晶核(红色、绿色、蓝色和灰色球分别表示fcc, hcp, bcc和其他表面原子)
Single-crystalPoly-crystalHydrid-crystal
t/ps nnsnclIScnnsnclISclFScnnsnclISc
2005355134
190383131824131318201175656116
1803825223839252238066423352
1703619132036191320078271721
1603624111539241115069351315
1502720882820881522698
1403021773021771703487
1303018653018651653465
12014931169311371131
11014710177100291110
10022910249100371310
902113102313100522010
801812102012100351610
702711103113100411810
602271024710032910
5018910189100201010
401370013700014700
3021007200011200
Table 1.

The number of core atoms n(t), the number ns(t) and nc(t) of heritable core atoms in transient and continuous heredities at relaxation time t as well as the number lISc(t) and lFSc(t) of IS- and FS-linkages between heritable core atoms in the continuous heredity mode.

被追踪团簇在不同弛豫时间t的芯原子总数n(t)、可遗传至下一个时刻的原子数目ns(t)、可连续遗传的原子数目nc(t)及其中的IS和FS联结数lISc(t)和lFSc(t)

Yuan Li, Ping Peng. Identification and tracking of different types of crystalline nucleiduring isothermal crystallization of amorphous Ag[J]. Acta Physica Sinica, 2019, 68(7): 076401-1
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