Dr. Vikas Jindal

Associate Professor

Department of Metallurgical Engineering IIT(BHU), Varanasi

Phone No(s): 7081-268

Email: vjindal.met@iitbhu.ac.in

Area of Interest: Computational Thermodynamics, Ab initio modeling of thermodynamics, Alloy Design, Advanced Materials

Vist my Website

Welcome to the Materials Modeling Lab (MML)

MML is a part of the Department of Metallurgical Engineering at the Indian Institute of Technology (Banaras Hindu University), Varanasi. Our research interest lies in various aspects of Computational Thermodynamics-(i) Experimental and DFT-based thermochemical data, (ii) Cluster Variation Method and Cluster Expansion based Gibbs energy models, (iii) Developing algorithms and software for the phase diagram assessment optimization, and (iv) Development of CALPHAD databases and their applications in novel materials and processes.

To this end, we develop novel computational thermodynamics tools to design alloys and materials. (see Research).

We are looking for passionate new PhD and Master students to join the team!

We are grateful for funding from IIT(BHU), Science and Engineering Research Board (SERB), and the Armaments Research Board (DRDO).

News

-Our paper on "A Neural Network Driven Approach for Characterizing the Interplay Between Short Range Ordering and Enthalpy of Mixing of Binary Subsystems in the NbTiVZr High Entropy Alloy" has received an
Editor’s Choice Award for 2023 from the Journal of Phase Equilibria and Diffusion.

- Shanker Kumar has successfully defended his PhD thesis on January 19, 2024. Congratulations!

- Our recent publication on " Influence of micro-segregation on the microstructure, and microhardness of MoNbTaxTi(1-x)W refractory high entropy alloys: Experimental and DFT approach" published "Intermetallics".

- Our latest #research on "A Neural Network Driven Approach for Characterizing the Interplay Between Short Range Ordering and Enthalpy of Mixing of Binary Subsystems in the NbTiVZr High Entropy Alloy" published in "Journal of Phase Equilibria and Diffusion"

- Our latest #research on "Modeling Short-Range Ordering in Binary BCC Ti-X (X = Nb, V, Zr) Alloys using CE-CVM", published with @SpringerNature in "Journal of Phase Equilibria and Diffusion"

- Published paper on "Effect of Load on Tribological Properties of Ti–TiB–Fe Composites Processed via Spark Plasma Sintering (SPS)", Trans. IIM (2022).

- Published Paper on "First-principles calculations and thermodynamic assessment of the Nb–V system using CE-CVM", Calphad. 78 (2022) 102439.

-Published paper on "Reciprocating Wear of Ti-TiB In Situ Composites Synthesized via Vacuum Arc Melting", J. Mater. Eng. Perform. (2022).

- Published paper on "Thermodynamic Re-assessment of the Nb-Zr System Using the CE–CVM Model for Solid Solution Phases ", J. Phase Equilibria Diffus. (2022).

Research Areas

Our research interest lies in various aspects of Computational Thermodynamics:

Experimental and DFT-based thermochemical data.
Cluster Variation Method and Cluster Expansion based Gibbs energy models.
Developing algorithms and software for the phase diagram assessment optimization.
Development of CALPHAD databases and their applications in designing novel materials and processes

More specifically, we are interested in:

Titanium based systems
Binary, ternary and multicomponent transition metal systems
Compositionally complex alloys (CCA and HEA)

On-going Projects:

Development of Functionally Graded Armor Composites (FGACs) Materials (2019-2022). This project is funded by DRDO Under Grant-in-Aid Scheme of ARMREB.
Role of Short Range Ordering in designing High Entropy Alloys (2019-2022). This project is funded by Science and Engineering Research Board (SERB) under Core Research Grant.
Development of low-cost β-Ti alloy for biomedical applications (2020-2023). This project is funded by Science and Engineering Research Board (SERB) under Core Research Grant. The role is Co-Principal Investigator

Completed Projects:

Phase-diagrams and thermodynamic investigations of Ti-Hf-Zr system using cluster variation method (CVM) (2018-2020). This project was funded by IIT(BHU), Varanasi.
Free energy minimization in binary alloy via genetic algorithms (2012). This project was funded by XI-Plan - Research Grant for New Faculty, University Grant Commission, India.
Development of e-content on ancient Indian metallurgy and modern process metallurgy (2011-12). This project was funded by National Mission on Education through Information & Communication Technology (NMEICT), New Delhi.

Publications
Google Scholar Link: https://scholar.google.com/citations?user=IEVIvqEAAAAJ&hl=en

[1] S. Kumar, A. Linda, Y. Shadangi, V. Jindal, Influence of micro-segregation on the microstructure, and microhardness of MoNbTaxTi(1-x)W refractory high entropy alloys: Experimental and DFT approach, Intermetallics. 164 (2024) 108080. https://doi.org/10.1016/j.intermet.2023.108080.

[2] S. Kumar, A.K. Thakur, V. Jindal, K. Muralidharan, A Neural Network Driven Approach for Characterizing the Interplay Between Short Range Ordering and Enthalpy of Mixing of Binary Subsystems in the NbTiVZr High Entropy Alloy, J. Phase Equilibria Diffus. (2023). https://doi.org/10.1007/s11669-023-01055-x.

[3] S. Kumar, V. Jindal, Modeling Short-Range Ordering in Binary BCC Ti-X (X = Nb, V, Zr) Alloys using CE-CVM, J. Phase Equilibria Diffus. 43 (2022) 511–526. https://doi.org/10.1007/s11669-022-00989-y.

[4] A. Ranjan, V. Jindal, R. Tyagi, Effect of Load on Tribological Properties of Ti–TiB–Fe Composites Processed via Spark Plasma Sintering (SPS), Trans. Indian Inst. Met. 75 (2022) 2847–2856. https://doi.org/10.1007/s12666-022-02651-0.

[5] S. Kumar, V. Jindal, First-principles calculations and thermodynamic assessment of the Nb–V system using CE-CVM, Calphad. 78 (2022) 102439. https://doi.org/10.1016/j.calphad.2022.102439.

[6] A. Ranjan, R. Tyagi, V. Jindal, Reciprocating Wear of Ti-TiB In Situ Composites Synthesized via Vacuum Arc Melting, J. Mater. Eng. Perform. 31 (2022) 9985–9996. https://doi.org/10.1007/s11665-022-07002-0.

[7] S. Kumar, V. Jindal, Thermodynamic Re-assessment of the Nb-Zr System Using the CE–CVM Model for Solid Solution Phases, J. Phase Equilibria Diffus. 43 (2022) 277–286. https://doi.org/10.1007/s11669-022-00959-4.

[8] R.P. Gorrey, V. Jindal, B.N. Sarma, S. Lele, Thermodynamics of Binary bcc and fcc Phases for Exclusive Second-Neighbour Pair Interactions Using Cluster Variation Method: Analytical Solutions, Trans. Indian Inst. Met. 75 (2022) 1365–1381. https://doi.org/10.1007/s12666-021-02469-2.

[9] A.K. Thakur, R.P. Gorrey, V. Jindal, K. Muralidharan, A data-driven approach to approximate the correlation functions in cluster variation method, Model. Simul. Mater. Sci. Eng. 30 (2022) 015001. https://doi.org/10.1088/1361-651X/ac3a16.

[10] N. Joshi, M.K. Dash, C. Upadhyay, V. Jindal, P.K. Panda, M. Shukla, Physico-chemical characterization of kajjali, black sulphide of mercury, with respect to the role of sulfur in its formation and structure, J. Ayurveda Integr. Med. 12 (2021) 590–600. https://doi.org/10.1016/j.jaim.2021.05.006.

[11] R.P. Gorrey, V. Jindal, B.N. Sarma, S. Lele, Modification of Cluster Variation Method Entropy Functional for Binary fcc Phases using Tetrahedron Approximation, Trans. Indian Inst. Met. 74 (2021) 129–136. https://doi.org/10.1007/s12666-020-02119-z.

[12] R.P. Gorrey, V. Jindal, B.N. Sarma, S. Lele, Polynomial functions for configurational correlation functions in Gibbs energies of solid solutions using cluster variation method, Comput. Mater. Sci. 186 (2021) 109746. https://doi.org/10.1016/j.commatsci.2020.109746.

[13] A.K. Thakur, V.K. Pandey, V. Jindal, Calculation of Existence Domains and Optimized Phase Diagram for the Nb-Ti Binary Alloy System Using Computational Methods, J. Phase Equilibria Diffus. 41 (2020) 846–858. https://doi.org/10.1007/s11669-020-00843-z.

[14] A. Ranjan, R. Tyagi, V. Jindal, K.S.R. Chandran, Investigation on Wear Characteristics of TiBFe Composites Containing 10 at.% Boron and 10-30 at.% Iron, J. Mater. Eng. Perform. 29 (2020) 6333–6342. https://doi.org/10.1007/s11665-020-05130-z.

[15] R.P. Gorrey, V. Jindal, B.N. Sarma, S. Lele, Analytical solutions for the correlation functions of perfectly ordered binary phases based on bcc, fcc and cph structures using cluster variation method, Calphad. 71 (2020) 101773. https://doi.org/10.1016/j.calphad.2020.101773.

[16] J. Du, V. Jindal, A.P. Sanders, K.S. Ravi Chandran, CALPHAD-guided alloy design and processing for improved strength and toughness in Titanium Boride (TiB) ceramic alloy containing a ductile phase, Acta Mater. 171 (2019) 18–30. https://doi.org/10.1016/j.actamat.2019.03.040.

[17] V. Jindal, A. Sarda, A. Degnah, K.S. Ravi Chandran, Effect of iron & boron content on the Spark Plasma Sintering of Ti-B-Fe alloys, Adv. Powder Technol. 30 (2019) 423–427. https://doi.org/10.1016/j.apt.2018.11.021.

[18] J. Akram, P.R. Kalvala, V. Jindal, M. Misra, Evaluating location specific strain rates, temperatures, and accumulated strains in friction welds through microstructure modeling, Def. Technol. 14 (2018) 83–92. https://doi.org/10.1016/j.dt.2017.11.002.

[19] J. Du, A.P. Sanders, V. Jindal, K.S.R. Chandran, Rapid in situ formation and densification of titanium boride (TiB) nano-ceramic via transient liquid phase in electric field activated sintering, Scr. Mater. 123 (2016) 95–99. https://doi.org/10.1016/j.scriptamat.2016.06.010.

[20] V. Jindal, P.K.P. Rupa, G.K. Mandal, V.C. Srivastava, Effect of High-Temperature Severe Plastic Deformation on Microstructure and Mechanical Properties of IF Steel, J. Mater. Eng. Perform. 23 (2014) 1954–1958. https://doi.org/10.1007/s11665-014-0977-9.

[21] V. Jindal, B. Nageswara Sarma, S. Lele, An improved CVM entropy functional for binary fcc alloys, Comput. Mater. Sci. 84 (2014) 129–133. https://doi.org/10.1016/j.commatsci.2013.11.062.

[22] V. Jindal, B.N. Sarma, S. Lele, An improvement of cluster variation method entropy functional for bcc alloys, Calphad. 43 (2013) 48–51. https://doi.org/10.1016/j.calphad.2013.10.004.

[23] V. Jindal, B.N. Sarma, S. Lele, A thermodynamic assessment of the Cr–Mo system using CE-CVM, Calphad. 43 (2013) 80–85. https://doi.org/10.1016/j.calphad.2013.10.003.

[24] V.C. Srivastava, T. Singh, S. Ghosh Chowdhury, V. Jindal, S.G. Chowdhury, Microstructural Characteristics of Accumulative Roll-Bonded Ni-Al-Based Metal-Intermetallic Laminate Composite, J. Mater. Eng. Perform. 21 (2012) 1912–1918. https://doi.org/10.1007/s11665-011-0114-y.

[25] V. Jindal, V.C. Srivastava, V. Uhlenwinkel, On the role of liquid phase stability and GFA parameters, J. Non. Cryst. Solids. 355 (2009) 1552–1555. https://doi.org/10.1016/j.jnoncrysol.2009.05.049.

[26] V.C.C. Srivastava, V. Jindal, V. Uhlenwinkel, K. Bauckhage, Hot-deformation behaviour of spray-formed 2014 Al+SiCp metal matrix composites, Mater. Sci. Eng. a-Structural Mater. Prop. Microstruct. Process. 477 (2008) 86–95. https://doi.org/10.1016/j.msea.2007.06.086.

[27] V. Jindal, V.C.C. Srivastava, Growth of intermetallic layer at roll bonded IF-steel/aluminum interface, J. Mater. Process. Technol. 195 (2008) 88–93. https://doi.org/10.1016/j.jmatprotec.2007.04.118.

[28] V. Jindal, V.C. Srivastava, R.N. Ghosh, Development of IF steel–Al multilayer composite by repetitive roll bonding and annealing process, Mater. Sci. Technol. 24 (2008) 798–802. https://doi.org/10.1179/174328406X148688.

[29] V. Rajinikanth, V. Jindal, V.G. Akkimardi, M. Ghosh, K. Venkateswarlu, Transmission electron microscopy studies on the effect of strain on Al and Al-1% Sc alloy, Scr. Mater. 57 (2007) 425–428. https://doi.org/10.1016/j.scriptamat.2007.04.038.

[30] V. Jindal, P.K. De, K. Venkateswarlu, Effect of Al3SC precipitates on the work hardening behavior of aluminum-scandium alloys, Mater. Lett. 60 (2006) 3373–3375. https://doi.org/10.1016/j.matlet.2006.03.017.

[31] V. Jindal, V.C. Srivastava, A. Das, R.N. Ghosh, Reactive diffusion in the roll bonded iron–aluminum system, Mater. Lett. 60 (2006) 1758–1761. https://doi.org/10.1016/j.matlet.2005.12.013.

Lab facilities

Computer Server Processor configuration : Intel Xeon Gold 6140 (2.30GHz/18-core/24.75MB/140W) RAM size: 384 GB Type of Hard Disc Drive: NL SAS Hard disc drive Capacity: 8000 GB
Vacuum Hot Press This 20-ton capacity Vacuum Hot Press is suitable for the sintering of sintering metal (Ti, Fe, and Mo) and ceramic powders (TiB2) under controlled atmosphere and temperature conditions (up to 1500°C).
Charpy Impact Tester Machine The FSA Make Motorized Impact Testing Machine is a powerful tool designed to evaluate the impact resistance of metallic materials, particularly through Charpy testing. With a capacity of 450 Joules, it can handle a wide range of test specimens and deliver reliable results.
Vacuum Arc furnace with Suction Casting The Vacuum Arc Furnace with Suction Casting is a specialized piece of equipment designed for melting high-temperature materials under a controlled, inert atmosphere. It utilizes an electric arc to generate intense heat, capable of reaching temperatures exceeding 3500 degrees Celsius. This allows for the melting of materials like tantalum, tungsten, and other refractory metals that have very high melting points.
High vacuum high-temperature heat treatment furnace This furnace is designed for precise heat treatment of various metal alloys under atmosphere-controlled conditions. The continuous operating temperature of this furnace is up to 1500°C, making it suitable for both ferrous and non-ferrous materials.
Planetary ball mill This planetary ball mill is a versatile tool for both wet and dry grinding, as well as powder blending. It boasts a large capacity 500ml tungsten carbide grinding jar and comes equipped with 50 fully tungsten carbide 10mm grinding balls for effective processing. The mill operates at a variable speed of up to 300RPM, with an optimal range of 250 to 300RPM for maximizing efficiency.

Courses

1. Computational Methods for Metallurgy
2. Computer Applications in Metallurgy Practical
3. Modeling and Simulation in Metallurgy
4. Heat Treatment

Group Leader

Dr. Vikas Jindal
Associate Professor
e-mail: vjindal.met@iitbhu.ac.in
Phone No: 7081-268

Current Students

Padiri Murali (Ph.D. Student)
e-mail:murali.jrf.met21@iitbhu.ac.in
Phone No: +919666919807
M.Tech: Sri Venkateswara University Tirupati, Andhra Pradesh
Area of Interest: Functionally Graded Armor Composite Materials
Harish Kumar (Ph.D. Student), Area of Interest: Computational Thermodynamics, First Principles Calculations, Titanium Alloys and composites.
Chayanika Sahoo (M.Tech Student), Area of Interest: Titanium-based bioimplant materials.
Jay Vardhan Sedwal (Integrated Dual Degree (IDD) Student), Area of Interest: Diffusion Welding of Ti-6Al-4V and SS-316L using Copper Interlayer.
Harsh Kumar Saini (Integrated Dual Degree (IDD) Student), Area of Interest: Computational Thermodynamics, First Principles Calculations, Titanium Alloys and composites.
Ashu Singh (Integrated Dual Degree (IDD) Student), Area of Interest: Computational Thermodynamics, First Principles Calculations, Short-range order in high entropy alloys

Ishu Yadav (Ph.D. Student) (Co-Supervision)
e-mail: ishuyadav.rs.met20@itbhu.ac.in
Phone No: +917088785595
M.Tech: Indian Institute of Technology (BHU)
Area of Interest: Computational Thermodynamics, First Principle Calculation, Beta-Titanium Alloys.

Former Students

Shanker Kumar (Ph.D. Student)
e-mail:shankerkr.rs.met17@itbhu.ac.in
Phone No: +918210209823
M.Tech: Indian Institute of Technology, Kharagpur
Area of Interest: High Entropy Alloys, Iron and Steel Making, Computational Thermodynamics.
Nitesh Kumar Sah, M.Tech (2022-24), Thesis Topic:: Synthesis and study of creep and mechanical behavior of low-cost iron (Fe) based β- Ti-TiB composite by casting route (VAM).
Akash Patle (M.Tech) (2021-23)
Abhishek Sharma (M.Tech) (2021-23)
Bidipta Dam, M.Tech (2018-2020 ), Thesis Topic: Development of Ti-Fe-Sn alloy as an affordable orthopedic bio-implant material.
Albert Linda, M.Tech (2018-2020 ), Thesis Topic: CALPHAD assisted designing of Al-Si alloys based phase change materials for thermal energy storage.
Anil Prasad, M.Tech (2018-2020 ), Thesis Topic: First principle study of mechanical properties of the material for biomedical applications.
Naveen Kumar, M.Tech (2017-2019 ), Thesis Topic: Re-Assessments of Ta-Zr and Ta-Ti Binary Sub-Systems Assisted by Ab-initio Calculations.
Ishu Yadav, M.Tech (2017-2019 ), Thesis Topic: Thermodynamic re-assessments of Ti-Zr And Nb-Zr binary sub-systems assisted by Ab- initio calculations.
Abhishek Kumar Thakur, M.Tech (2016-2018) Thesis Topic: Thermodynamic reassessment of Nb-Ti alloy system using computational methods.
Baibhab Dev, M.Tech (2012-2014), Thesis Topic: Computational Thermodynamics of Ta-Ti and Nb-Ti Binary Systems using the Cluster Variation Method and Modified-Cluster Variation Method.
Vasu Shreyasi, M.Tech (2011-2013), Thesis Topic: Calculation of optimized Mo-Ti phase diagram using CVM.
Vikas Sharma, M.Tech (2011-2013), Thesis Topic: Computation of Optimized Ti-V Phase Diagram Using CE-CVM Method.
M. Manikandan, M.Tech (2011-2013), Thesis Topic: Computation of optimized phase diagram of Cr-W system using cluster variation method.
Vivek Kumar Pandey, M.Tech (2011-2013), Thesis Topic: Computation of Optimized Nb-Ti Phase Diagram using CE-CVM Method.
Shivam Upadhyay, M.Tech (2010-2012), Thesis Topic: Computation Thermodynamics of Au-Pt and Pd-Pt Phase Diagrams using Cluster Variation Method.
Abhinav Jain, M.Tech (2010-2012), Thesis Topic: Computation of Optimized Hf-Ti and Y-Zr Phase Diagrams Using Cluster Variation Method.
Ankur Verma , M.Tech (2009-2011)

Contact us

Office:
Ground floor, Room No: 034, Department of Metallurgical Engineering, Indian Institute of Technology (BHU) Varanasi Uttar Pradesh (India),221005
e-mail: vjindal.met@iitbhu.ac.in
Phone No: 7081-268

The Materials Modeling Lab (MML) in the Department of Metallurgical Engineering at the Indian Institute of Technology (Banaras Hindu University), Varanasi, India, invites applications for two PhD positions. MML offers a highly interdisciplinary and dynamic environment for research and development. The lab has a strong track record of publishing high-quality research in top international journals and conferences. The lab is also well-equipped with state-of-the-art computational and experimental facilities.

Research Interests

Computational Thermodynamics
Experimental and DFT-based thermochemical data
Cluster Variation Method and Cluster Expansion based Gibbs energy models
Developing algorithms and software for the phase diagram assessment optimization
Development of CALPHAD databases and their applications in novel materials and processes
Computational design and understanding of High entropy alloys
Experimental synthesis and characterization of High entropy alloys
Machine learning

To Apply

Submit your application through the Institute website: PG ADMISSIONS (iitbhu.ac.in). Also, send your CV to Dr. Vikas Jindal (vjindal.met@iitbhu.ac.in) by November 15, 2023.

Vacuum Hot Press (VHP) Charges (18 % GST Extra):

Name of Equipment	Campus Users		Educational and Govt. R&D Labs & Consultancy Project of IIT (BHU)	Industry Users
	For IIT(BHU) Users	For BHU Users
Vacuum Hot Press (VHP)	₹ 3,000/- Per Sample	₹ 5,000/- Per Sample	₹ 5,000/- Per Sample	₹ 5,000/- Per Sample
Sample preparation charges extra based on the sample. Users need to arrange their own Die.

Vacuum Arc Melting (VAM) Charges (18% GST Extra):

Name of Equipment	Campus Users		Educational and Govt. R&D Labs & Consultancy Project of IIT (BHU)	Industry Users
Name of Equipment	For IIT(BHU) Users	For BHU Users		Industry Users
(VAM) For 4 Samples	₹ 2,000/- Per 4 Sample	₹ 10,000/- Per 4 Sample	₹ 10,000/- Per 4 Sample	₹ 10,000/- Per 4 Sample
(VAM) For 1 Samples	₹ 1,000/- Per Sample	₹ 5,000/- Per Sample	₹ 5,000/- Per Sample	₹ 5,000/- Per Sample

Charpy Notch Test (For All Temperature) Charges (18% GST Extra):

Name of Equipment	Campus Users		Educational and Govt. R&D Labs & Consultancy Project of IIT (BHU)	Industry Users
	For IIT(BHU) Users	For BHU Users
For All Temperatures	₹ 1,500/- Per 5 Sample	₹ 5,000/- Per 5 Sample	₹ 5,000/- Per 5 Sample	₹ 5,000/- Per 5 Sample
Charges include sample preparation.