Deep Choudhuri, PhD

目前，我们的重点是:(1)了解晶体学，能量学， kinetics of phase transformations in solid and liquid states of metallic alloys; and, (2)检查晶体材料中缺陷的形成和扩展.  Our recent findings are as follows:

By coupling ab initio 分子动力学和无监督学习算法，我们发现了两个变换 Al-Sc二元合金凝固过程路径:(1)$\mathrm{Sc}-centere\mathrm{d-}polyhedrons\to L12-{\mathrm{Al}}_3\mathrm{Sc}\to liquid-Al/L12-Al3Sc-interfacia\mathrm{l-}ordering\to fcc-\mathrm{Al}$; and (ii) $\mathrm{Sc}-centere\mathrm{d-}polyhedrons\to hcp-\mathrm{Al}\to bcc-\mathrm{Al}\to fcc-\mathrm{Al}$. 这些途径为工程合金凝固打开了大门 liquid state.(Physical Review Materials, 6(10), p.103406)

我们的经典MD模拟揭示了非经典成核机制 the crystallization of Ni-Cr alloys. This mechanism rationalizes why concentrated Ni-Cr凝固成多相显微组织.(Scripta Materialia, 199, p.113857)

Google Scholar 指标:3023次引用，28 h-index, 53 i10-index (last updated in 10/22/2023)

**本科生合著者，**研究生合著者，   ” corresponding author

独立职业出版物@NMT(2019年秋季至今)

1. [Invited Article] Hasan, M.M.**, Srinivasan, S.G., Choudhuri, D., (2023) 相分离bcc Nb-Zr合金的相变和孪晶诱导塑性: An atomistic study", Journal of Materials Science - accepted
2. Wilkinson, H.*, Boyd, B.*, O’Connell, J.M.**, Knox, R., Rinehart, A.J., Majumdar, B.S. and Choudhuri, D., (2023). "金属间化合物al3sc /液相异质外延相形成的控制因素 interfaces". Journal of Applied Physics, 133(12), p.124902.
3. Choudhuri, D., Majumdar, B.S. and Wilkinson, H*., (2022). “从头计算Al-Sc在液体中有序介导转化的研究 molecular dynamics and unsupervised learning”. Physical Review Materials, 6(10), p.103406.
4. Eshed, E., Choudhuri, D. and Osovski, S., (2022). “M₇C₃: The story of a misunderstood carbide”. Acta Materialia, p.117985.
5. Choudhuri, D. and Blake, L.**, (2021). “固体烧结过程中颗粒曲率对微观组织演化的影响 相场模拟的现象学见解”. Journal of Materials Science, 56(12), pp.7474-7493. (A这篇文章入围了著名的罗伯特·沃尔夫冈·卡恩奖.)
6. Choudhuri, D., Matteson, S*. and Knox, R*., (2021). “Ni-Cr液体中耦合体中心立方结构和闭包结构的成核 alloys”. Scripta Materialia, 199, p.113857.
7. Choudhuri, D., (2021).“金属间化合物β的局部结构和成键环境₁ precipitate phase nucleus in binary Mg-Nd”. Computational Materials Science,187, p.110111.
8. Paranjape, P.**, Srinivasan, S.G. and Choudhuri, D.*, (2020). "C二元模型中键合、空位迁移机制和蠕变之间的关系 and ternary hcp-Mg solid solutions". Journal of Applied Physics, 128(14), p.145103. (Student was my PhD advisee from UNT)
9. Choudhuri, D. and Majumdar, B.S., (2020). "稀fcc基二元体系结晶和玻璃化过程中的结构变化 alloys". Materialia, 12, p.100816.
10. Choudhuri, D. and CampBell, A.**, (2020). "界面主导的两相fcc/B2纳米结构的变形机制:Nishiyama-Wasserman vs. Kurdjumov-Sachs interfaces". Computational Materials Science, 177, p.109577.
11. Reynolds, C.R., Herl, Z., Ley, N.A., Choudhuri, D., Lloyd, J.T. and Young, M.L., (2020). "比较CALPHAD预测与高能同步辐射x射线衍射 measurements during in situ annealing of Al₃CoCrFeNi high entropy alloy". Materialia, 12, p.100784.
12. Choudhuri, D, Srinivasan, S.G. and Mishra, R.S., (2020). “含Kurdjumov-Sachs界面层状FCC-B2纳米结构的变形 界面结构与塑性的关系”. International Journal of Plasticity, 125, pp.191-209

Selected publications from postdoctoral research

1. Choudhuri, D. and Srinivasan, S.G., (2019). "基于密度泛函理论的溶质动力学和沉淀研究 二元镁稀土合金的形成. Computational Materials Science, 159, pp.235-256. (特刊“计算材料科学的新星”特刊特邀论文)
2. Choudhuri, D., Gwalani, B., Gorsse, S., Komarasamy, M., Mantri, S.A., Srinivasan, S.G., Mishra, R.S. and Banerjee, R., (2019). "通过变形孪晶提高纤维基材料的强度和应变淬透性 用金属间化合物增强的高熵合金." Acta Materialia, 165, pp.420-430.
3. Choudhuri, D., Shukla, S., Gwalani, B., Banerjee, R. and Mishra, R.S., (2019). "变形诱导的中间亚稳晶格结构有利于有序 B2 nucleation in a fcc-based high entropy alloy". Materials Research Letters, 7(1), pp.40-46.
4. Choudhuri, D., Banerjee, R. and Srinivasan, S.G., (2018). "面心立方(Ni)有序B2 (NiAl)双晶的单轴变形:原子性 mechanisms near a Kurdjumov–Sachs interface." Journal of Materials Science, 53(8), pp.5684-5695.
5. Choudhuri, D., Srinivasan, S.G., Gibson, M.A., Zheng, Y., Jaeger, D.L., Fraser, H.L. and Banerjee, R., (2017). "局部化使镁稀土合金蠕变寿命显著提高 bond stiffening." Nature Communications, 8(1), pp.1-9.
6. Choudhuri, D., Zheng, Y., Alam, T., Shi, R., Hendrickson, M., Banerjee, S., Wang, Y., Srinivasan, S.G., Fraser, H. and Banerjee, R., (2017). "a中ω相演化的耦合实验与计算研究 high misfit titanium-vanadium alloy." Acta Materialia, 130, pp.215-228.
7. Choudhuri, D., Banerjee, R. and Srinivasan, S.G., (2017). "抗蠕变强化析出相的界面结构和能量学 Mg-Nd-based alloys." NPG Scientific Reports, 7(1), pp.1-8.
8. Choudhuri, D., Srinivasan, S.G., Gibson, M.A. and Banerjee, R., 2017. Bonding environments in a creep–resistant Mg–RE–Zn alloy. In Magnesium Technology 2017 (pp. 471-475). Cham: Springer International Publishing.
9. Choudhuri, D., Alam, T., Borkar, T., Gwalani, B., Mantri, A.S., Srinivasan, S.G., Gibson, M.A. and Banerjee, R., (2015). "CoCrCuFeNiAlTi高熵合金中Huesler-like L21相的形成." Scripta Materialia, 100, pp.36-39.
10. Choudhuri, D., Dendge, N., Nag, S., Gibson, M.A. and Banerjee, R., (2014). "蠕变试验中施加单轴应力对Mg-Nd合金析出的影响." Materials Science and Engineering: A, 612, pp.140-152.
11. Choudhuri, D., Dendge, N., Nag, S., Meher, S., Alam, T., Gibson, M.A. and Banerjee, R., (2014). "二元Mg-Nd合金的均匀和非均匀析出机制." Journal of Materials Science, 49, pp.6986-7003.

1. A. 双相Ni/Al双晶的强度和力学响应:比较 Kurdjumov-Sachs和Nishiyama Wasserman界面之间的关系”，硕士论文，新墨西哥 Institute of Mining and Technology, 2021
2. P. Paranjape，“局部键对扩散影响的第一性原理研究” “合金中的机制”，博士论文，北德克萨斯大学，2021 (Co-advised from NMT)

1. (2024-present) NSF CAREER: 金属合金中由形核和生长产生的液相结构 (PI)
2. (2024-present) 美国化学会石油研究基金; 负热膨胀中键动力学与热力学因素的关系 materials (PI)
3. (2023-Present) Sandia National Laboratory - LDRD: 金属-有机骨架中气体夹持的从头算MD模拟 (PI)
4. (2023-present) NSF MRI: 议题一:ag亚游集团App下载高性能计算系统的收购 (Co-PI)
5. (2022-Present) NMT Sophomore research program 
6. (2020-Present) Army Research Laboratory: 原子建模:高密度工程液相结构和组成 of Nucleation Sites (Co-PI)
7. (2023年夏季)NMT-Hoonify NMSBA项目-完成(共同主持)

Graduate:  

1. Md. Mahmmudul Hasan (Masters program)
2. Brianne Boyd (Accelerated Masters program)
3. Rashedul Chowhury (Masters program)

Undergraduate:  

1. Gavin Fillip
2. Andrew Hubbard

Former students:

1. 奥黛丽·坎贝尔，硕士(在亚利桑那州立大学攻读博士学位)
2. Reilly Knox，学士(在宾夕法尼亚州立大学攻读博士学位)
3. Hunter Wilkinson, BS (3D Glass Solutions)
4. 斯凯勒·马特森理学学士(交通部)
5. Logan Blake, ME (Intel)
6. 约瑟夫·刘(前大二研究计划资助获得者)
7. Erica Pape

1. Github: 在我的团队中很少使用内部程序(和分支)
2. A student-friendly guide to running ab initio MD simulations using VASP - prepared by Brianne Boyd 

MTLS 202 &202L Materials Engineering 1

MTLS 235 Materials Engineering 2

MTLS 3010 Microstructure and processing

MTLS 3027/3207D Physical Metallurgy

材料科学计算机方法概览

MTLS 5091 Thesis

MTLS 5000 Directed Study

MTLS 580/580D Dislocation plasticity

MTLS 592 Graduate Seminar