Effects of carbon segregation and interface roughness on the mobility of solid-liquid interface in Fe-C alloy: A molecular dynamics study

材料科学 合金 过冷 扩散 分子动力学 动能 分析化学(期刊) 化学物理 结晶学 热力学 冶金 计算化学 化学 物理 色谱法 量子力学
作者
Lintao Gui,Hao Zhang,Yan Zhao,Yangwei Wang,Dengfu Chen,Xinyi Wang,Gazi Mahmud,Mujun Long
出处
期刊:Materialia [Elsevier BV]
卷期号:20: 101266-101266 被引量:2
标识
DOI:10.1016/j.mtla.2021.101266
摘要

The kinetic coefficients (μ) for the fcc Fe-(0–0.5 wt%)C alloy solidification and melting were investigated using molecular dynamics simulations. The activation energy for the diffusion of C atoms (QC) at the solid-liquid interface was calculated using the Debye-Waller factor to reveal the effect of C atoms dragging on the interface mobility. The influence of C segregation and interface roughness on interface mobility was also investigated. Simulation results show that for melting, the C content has a minor effect on the μ, and the μ is mainly ranged 18.1–19.4 cm/s•K, while for solidification, the μ linearly decreases with the increasing C content, and the μ is ranged 9.6–17.9 cm/s•K. In addition, a ‘platform’ zone was observed under low undercooling, in which the interface velocity is close to zero and suggests weak interface mobility, resulting from the segregation and dragging of C atoms at the interface. The ‘platform’ zone size linearly increases with the increasing C content. The QC increases with the increasing C content, which is ranged 0.71–0.91 eV for the fcc Fe-(0.1–0.4 wt%)C alloy solidification, indicating the C atomic motion is weakened and the C atoms dragging is reinforced due to C content increasing. Interface roughness and C atoms distribution analyses show that for the fcc Fe-C alloy solidification, a smooth solid-liquid interface is unfavorable for interface mobility, and the smooth interface is usually accompanied by the non-uniform distribution of C atoms. Therefore, increasing the interface roughness may be helpful for improving interface mobility and segregation for alloy solidification.
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
dyem完成签到,获得积分10
1秒前
1秒前
3秒前
善良的人发布了新的文献求助10
4秒前
怕黑的凝旋完成签到,获得积分10
4秒前
现代书雪完成签到,获得积分20
4秒前
彭于晏应助paltahun采纳,获得10
5秒前
斯文败类应助blawxx采纳,获得10
5秒前
bm发布了新的文献求助10
6秒前
6秒前
果冻橙发布了新的文献求助10
6秒前
xixi发布了新的文献求助10
6秒前
华仔应助Zenobia采纳,获得10
7秒前
8秒前
8秒前
学呀完成签到,获得积分10
8秒前
幸福胡萝卜完成签到,获得积分10
9秒前
健忘鞋垫完成签到,获得积分10
10秒前
AZURE完成签到,获得积分10
11秒前
lbj发布了新的文献求助10
11秒前
量子星尘发布了新的文献求助10
11秒前
白了个白发布了新的文献求助20
11秒前
完美世界应助嘟嘟采纳,获得10
12秒前
bobochi发布了新的文献求助30
12秒前
bm完成签到,获得积分10
13秒前
13秒前
羽羽完成签到 ,获得积分10
14秒前
xiaoxia完成签到,获得积分10
15秒前
17秒前
顾矜应助inferyes采纳,获得10
18秒前
oleskarabach发布了新的文献求助10
18秒前
听曲散步完成签到,获得积分10
19秒前
qq发布了新的文献求助10
20秒前
paltahun发布了新的文献求助10
20秒前
20秒前
科研民工李完成签到,获得积分10
20秒前
20秒前
娜娜完成签到 ,获得积分10
21秒前
L2发布了新的文献求助30
22秒前
花花猪1989发布了新的文献求助20
23秒前
高分求助中
A new approach to the extrapolation of accelerated life test data 1000
Cognitive Neuroscience: The Biology of the Mind 1000
Technical Brochure TB 814: LPIT applications in HV gas insulated switchgear 1000
Toward a Combinatorial Approach for the Prediction of IgG Half-Life and Clearance 500
ACSM’s Guidelines for Exercise Testing and Prescription, 12th edition 500
Picture Books with Same-sex Parented Families: Unintentional Censorship 500
Nucleophilic substitution in azasydnone-modified dinitroanisoles 500
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 遗传学 基因 物理化学 催化作用 冶金 细胞生物学 免疫学
热门帖子
关注 科研通微信公众号,转发送积分 3969940
求助须知:如何正确求助?哪些是违规求助? 3514642
关于积分的说明 11175298
捐赠科研通 3249947
什么是DOI,文献DOI怎么找? 1795178
邀请新用户注册赠送积分活动 875617
科研通“疑难数据库(出版商)”最低求助积分说明 804891