Deep Choudhuri, PhD

Currently, we are focussed on: (1) underst和ing the crystallography, energetics, kinetics of phase transformations in solid 和 liquid states of metallic 合金; 和, (2) examining defect formation 和 propagation in crystalline 材料.  Our recent findings are as follows:

By coupling 从头开始 Molecular Dynamics 和 unsupervised learning algorithms, we have discovered two transformation pathways during the solidification of binary Al-Sc allloys: (i)$\mathrm{Sc}-centere\mathrm{d-}polyhedrons\to L12-{\mathrm{Al}}_3\mathrm{Sc}\to liquid-Al/L12-Al3Sc-interfacia\mathrm{l-}ordering\to fcc-\mathrm{Al}$; 和 (ii) $\mathrm{Sc}-centere\mathrm{d-}polyhedrons\to hcp-\mathrm{Al}\to bcc-\mathrm{Al}\to fcc-\mathrm{Al}$. These pathways open doors for engineering alloy solidification - starting from the liquid state.(Physical Review Materials, 6(10), p.103406)

Our classical MD simulations have uncovered non-classical nucleation mechanisms during the crystallization of Ni-Cr 合金. This mechanism rationalizes why 浓缩的entrated Ni-Cr solidifies into multiphase microstructures.(Scripta Materialia, 199, p.113857)

Google Scholar metrics: 3023 citations, 28 h-index, 和 53 i10-index (last updated in 10/22/2023)

*Undergraduate student co-author, **研究生 student co-author, “   ” corresponding author

Independent career publications @NMT (Fall'19 - present)

1. [Invited Article] Hasan, M.M.**, Srinivasan, S.G., Choudhuri, D., (2023) "Transformation 和 twinning induced plasticity in phase separated bcc Nb-Zr 合金: 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. 和 Choudhuri, D., (2023). "Factors controlling heteroepitaxial phase formation at intermetallic-Al3Sc/liquid interfaces". Journal of Applied Physics, 133(12), p.124902.
3. Choudhuri, D., Majumdar, B.S. 和 Wilkinson, H*., (2022). “Investigation of in-liquid ordering mediated transformations in Al-Sc via 从头开始 molecular dynamics 和 unsupervised learning”. Physical Review Materials, 6(10), p.103406.
4. 艾许,E., Choudhuri, D. 和 Osovski, S., (2022). “M₇C₃: The story of a misunderstood carbide”. Acta Materialia, p.117985.
5. Choudhuri, D. 和 Blake, L.**, (2021). “Particle curvature effects on microstructural evolution during solid-state sintering: phenomenological insights from phase-field simulations”. Journal of Materials Science, 56(12), pp.7474-7493. (Article was a finalist for the prestigious Robert Wolfgang Cahn award.)
6. Choudhuri, D., Matteson, S*. 和 Knox, R*., (2021). “Nucleation of coupled body-centered-cubic 和 closed-packed structures in liquid Ni-Cr 合金”. Scripta Materialia, 199, p.113857.
7. Choudhuri, D., (2021).“Local structure 和 bonding environment of intermetallic β₁ precipitate phase nucleus in binary Mg-Nd”. Computational Materials Science,187, p.110111.
8. Paranjape, P.**, Srinivasan, S.G. 和 Choudhuri, D.*, (2020). "Correlation between bonding, vacancy migration mechanisms, 和 creep in model binary 和 ternary hcp-Mg solid solutions". Journal of Applied Physics, 128(14), p.145103. (Student was my PhD advisee from UNT)
9. Choudhuri, D. 和 Majumdar, B.S., (2020). "Structural changes during crystallization 和 vitrification of dilute FCC-based binary 合金". Materialia, 12, p.100816.
10. Choudhuri, D. 和 CampBell, A.**, (2020). "Interface dominated deformation mechanisms in two-phase fcc/B2 nanostructures: Nishiyama-Wasserman vs. Kurdjumov-Sachs interfaces". Computational Materials Science, 177, p.109577.
11. Reynolds, C.R.， Herl, Z.纽约州莱纳州.A., Choudhuri, D., Lloyd, J.T. 和 Young, M.L., (2020). "Comparing CALPHAD predictions with high energy synchrotron radiation X-ray diffraction measurements during in situ annealing of Al₃CoCrFeNi high entropy alloy". Materialia, 12, p.100784.
12. Choudhuri, D, Srinivasan, S.G. 和 Mishra, R.S., (2020). “Deformation of lamellar FCC-B2 nanostructures containing Kurdjumov-Sachs interfaces: Relation between interfacial structure 和 plasticity”. International Journal of Plasticity, 125, pp.191-209

Selected publications from postdoctoral research

1. Choudhuri, D. 和 Srinivasan, S.G., (2019). "Density functional theory-based investigations of solute kinetics 和 precipitate formation in binary magnesium-rare earth 合金: A review". Computational Materials Science, 159, pp.235-256. (Invited paper in special issue – “Rising Stars in Computational Materials Science”)
2. Choudhuri, D., Gwalani, B., Gorsse, S., Komarasamy, M., Mantri, S.A., Srinivasan, S.G.Mishra, R.S. 和 Banerjee, R., (2019). "Enhancing strength 和 strain hardenability via deformation twinning in fcc-based high entropy 合金 reinforced with intermetallic compounds." Acta Materialia, 165, pp.420-430.
3. Choudhuri, D., Shukla, S., Gwalani, B., Banerjee, R. 和 Mishra, R.S., (2019). "Deformation induced intermediate metastable lattice structures facilitate ordered B2 nucleation in a fcc-based high entropy alloy". Materials 研究 Letters, 7(1), pp.40-46.
4. Choudhuri, D., Banerjee, R. 和 Srinivasan, S.G., (2018). "Uniaxial deformation of face-centered-cubic (Ni)-ordered B2 (NiAl) bicrystals: atomistic 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. 和 Banerjee, R., (2017). "Exceptional increase in the creep life of magnesium rare-earth 合金 due to localized bond stiffening." Nature Communications, 8(1), pp.1-9.
6. Choudhuri, D., Zheng, Y.，阿拉姆，T.，史，R., Hendrickson, M., Banerjee, S.王, Y., Srinivasan, S.G., Fraser, H. 和 Banerjee, R., (2017). "Coupled experimental 和 computational investigation of omega phase evolution in a high misfit titanium-vanadium alloy." Acta Materialia, 130, pp.215-228.
7. Choudhuri, D., Banerjee, R. 和 Srinivasan, S.G., (2017). "Interfacial structures 和 energetics of the strengthening precipitate phase in creep-resistant Mg-Nd-based 合金." NPG Scientific Reports, 7(1), pp.1-8.
8. Choudhuri, D., Srinivasan, S.G., Gibson, M.A. 和 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.，阿拉姆，T., Borkar, T., Gwalani, B., Mantri, A.S., Srinivasan, S.G., Gibson, M.A. 和 Banerjee, R., (2015). "Formation of a Huesler-like L21 phase in a CoCrCuFeNiAlTi high-entropy alloy." Scripta Materialia, 100, pp.36-39.
10. Choudhuri, D., Dendge, N.， Nag, S., Gibson, M.A. 和 Banerjee, R., (2014). "Role of applied uniaxial stress during creep testing on precipitation in Mg–Nd 合金." Materials Science 和 Engineering: A, 612, pp.140-152.
11. Choudhuri, D., Dendge, N.， Nag, S., Meher, S.，阿拉姆，T., Gibson, M.A. 和 Banerjee, R., (2014). "Homogeneous 和 heterogeneous precipitation mechanisms in a binary Mg–Nd alloy." Journal of Materials Science, 49, pp.6986-7003.

1. A. CampBell, "Strength 和 mechanical response of Dual-phase Ni/Al bicrystals: A comparison between Kurdjumov-Sachs 和 Nishiyama Wasserman interfaces", Masters Thesis, New Mexico Institute of Mining 和 Technology, 2021
2. P. Paranjape, "First principles study of the effect of local bonding on the diffusion mechanisms in 合金", PhD Dissertation, University of North Texas, 2021 (Co-advised from NMT)

1. (2024-present) NSF CAREER: Emergence of in-liquid structures in metallic 合金 by nucleation 和 growth (PI)
2. (2024-present) American Chemical Society, Petroleum 研究 Fund: Correlation between bond dynamics 和 thermodynamic factors in negative thermal expansion 材料 (PI)
3. (2023-Present) S和ia National Laboratory - LDRD: Ab initio MD simulation of gas entrapment in metal-organic-frameworks (PI)
4. (2023-present) NSF磁共振成像: Track I - Acquisition of a High Performace Computing System at New Mexico Tech (Co-PI)
5. (2022-Present) NMT Sophomore research program 
6. (2020-Present) Army 研究 Laboratory: Atomistic Modeling: Engineer Liquid Phase Structure 和 Composition for a High Density of Nucleation Sites (Co-PI)
7. (Summer 2023) NMT-Hoonify NMSBA project - Completed (Co-PI)

研究生:  

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. Audrey CampBell, MS (pursuing PhD at Arizona State University)
2. Reilly Knox, BS (pursuing PhD at Pennsylvania State University)
3. Hunter Wilkinson, BS (3D Glass Solutions)
4. Skyler Matteson, BS (Department of Transportation)
5. Logan Blake, ME (Intel)
6. Joseph Liu (former Sophomore 研究 Program grant recipient)
7. Erica Pape

1. Github: Few in-house programs (和 forks) used in my group
2. A student-friendly guide to running 从头开始 MD simulations using VASP - prepared by Brianne Boyd 

mtl 202 &202L Materials Engineering 1

MTLS 235 Materials Engineering 2

MTLS 3010 Microstructure 和 processing

MTLS 3027/3207D Physical Metallurgy

MTLS 4046/4046D Survey of Computer Methods in Materials Science

MTLS 5091 Thesis

MTLS 5000 Directed Study

MTLS 580/580D Dislocation plasticity

MTLS 592 研究生 Seminar