Dibakar Datta
Dibakar Datta
Associate Professor, Mechanical and Industrial Engr
307 Mechanical Engineering Center
About Me
I am currently an assistant professor at the MIE department since 2016. I finished my Ph.D. at Brown University and postdoctoral research at Stanford University. I work on computational Nanomechanics and materials.
Education
Ph.D.; Brown University; Philosophy; 2015
M.S.; Universitat Politecnica de Catalunya; Computational Mechanics; 2010
M.S.; Indian Institute of Science; Structural Engineering; 2008
B.S.; Indian Institute of Engineering Science; Civil Engineering; 2006
M.S.; Universitat Politecnica de Catalunya; Computational Mechanics; 2010
M.S.; Indian Institute of Science; Structural Engineering; 2008
B.S.; Indian Institute of Engineering Science; Civil Engineering; 2006
Awards & Honors
2019 Ph.D. student :: Vidushi Sharma won the First Prize in Oral Presentation in International Conference on Functional Nanomaterials, Indian Institute of Technology (IIT), Varanasi, India. , IIT Varanasi, India
Website
2023 Fall Courses
MTSE 792B - PRE-DOCTORAL RESEARCH
ME 725 - INDEPENDENT STUDY I
MTSE 790A - DOCTORAL DISSERTATION
MTSE 792C - PRE-DOCTORAL RESEARCH
ME 792B - PRE-DOCTORAL RESEARCH
ME 700B - MASTER'S PROJECT
ME 312 - THERMODYNAMICS II
ME 701B - MASTER'S THESIS
ME 701C - MASTER'S THESIS
ME 726 - INDEPENDENT STUDY II
ME 790A - DOC DISSERTATION & RES
MTSE 790B - DOC DISSERTATION & RES
ME 311 - THERMODYNAMICS I
ME 490 - MECH ENGR PROJECT A
ME 725 - INDEPENDENT STUDY I
MTSE 790A - DOCTORAL DISSERTATION
MTSE 792C - PRE-DOCTORAL RESEARCH
ME 792B - PRE-DOCTORAL RESEARCH
ME 700B - MASTER'S PROJECT
ME 312 - THERMODYNAMICS II
ME 701B - MASTER'S THESIS
ME 701C - MASTER'S THESIS
ME 726 - INDEPENDENT STUDY II
ME 790A - DOC DISSERTATION & RES
MTSE 790B - DOC DISSERTATION & RES
ME 311 - THERMODYNAMICS I
ME 490 - MECH ENGR PROJECT A
Teaching Interests
I teach Thermodynamics, Atomistic/Molecular Dynamics. So far, I have taught these courses.
Thermodynamics II: Fall 2016, Spring 2017, Fall 2017, Spring 2018, Spring 2019
Atomistic and Molecular Simulations Methods: Fall 2018, Spring 2020
Thermodynamics I: Fall 2020, Spring 2021, Fall 2021, Spring 2022, Fall 2022
In future, I wish to offer a SEPARATE course on Machine Learning, Molecular Dynamics, DFT, and Kinetic Monte Carlo.
I am also interested in teaching fundamental mechanics courses.
Thermodynamics II: Fall 2016, Spring 2017, Fall 2017, Spring 2018, Spring 2019
Atomistic and Molecular Simulations Methods: Fall 2018, Spring 2020
Thermodynamics I: Fall 2020, Spring 2021, Fall 2021, Spring 2022, Fall 2022
In future, I wish to offer a SEPARATE course on Machine Learning, Molecular Dynamics, DFT, and Kinetic Monte Carlo.
I am also interested in teaching fundamental mechanics courses.
Past Courses
ME 311: THERMODYNAMICS I
ME 312: THERMODYNAMICS II
ME 618: ST: ATOMISTIC & MOLECULAR SIMULATIONS METHODS IN MECHANICS & MATERIALS SCIENCE
ME 618: ST: ATOMISTIC AND MOLECULAR SIMULATIONS METHODS IN MECHANICS AND MATERIALS SCIENCE
ME 794: MECHANICAL COLLOQUIUM
ME 312: THERMODYNAMICS II
ME 618: ST: ATOMISTIC & MOLECULAR SIMULATIONS METHODS IN MECHANICS & MATERIALS SCIENCE
ME 618: ST: ATOMISTIC AND MOLECULAR SIMULATIONS METHODS IN MECHANICS AND MATERIALS SCIENCE
ME 794: MECHANICAL COLLOQUIUM
Research Interests
Our research focuses on Electro-Chemo-Mechanics of materials for next-generation applications in energy storage, electronics, and multifunctional devices. The question driving our research concentrates on how the structure and chemistry of materials at the atomic/molecular level control their performance in practical applications. To address this, we employ various modeling and simulation methods ranging from Quantum Mechanical Methods (e.g., Density Functional Theory), Molecular Dynamics, Monte Carlo, and Machine Learning, using massively parallel computing facilities.
Journal Article
Ghatak, Kamalika, & Kumar, Swastik, & Nadimpalli, Siva, & Datta, Dibakar Effect of Decreasing Cobalt Content on the Electrochemical Properties and Structural Stability of Li.
Chen, Yantao, & Guo, Fei, & Jachak, Ashish, & Kim, Sang-Pil, & Datta, Dibakar, & Liu, Jingyu, & Kulaots, Indrek, & Vaslet, Charles, & Jang, Hee, & Huang, Jiaxing, & others, Self-Assembled Graphene Nanosacks.
Datta, Dibakar Topics in Mechanics at the Bottom, Energy Storage Systems, and Emerging Nanomaterials.
Datta, Dibakar, & Sharma, Vidushi (2022). Developing Potential Energy Surfaces for Graphene-based 2D-3D Interfaces from Modified High Dimensional Neural Networks for Applications in Energy Storage. J. Electrochem. En. Conv. Stor., 19(4), 10.
Datta, Dibakar, & Kashyap, Jatin (2022). Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT study. Journal of materials science,
Chen, Yantao, & Guo, Fei, & Jachak, Ashish, & Kim, Sang-Pil, & Datta, Dibakar, & Liu, Jingyu, & Kulaots, Indrek, & Vaslet, Charles, & Jang, Hee, & Huang, Jiaxing, & others, Self-Assembled Graphene Nanosacks.
Datta, Dibakar Topics in Mechanics at the Bottom, Energy Storage Systems, and Emerging Nanomaterials.
Datta, Dibakar, & Sharma, Vidushi (2022). Developing Potential Energy Surfaces for Graphene-based 2D-3D Interfaces from Modified High Dimensional Neural Networks for Applications in Energy Storage. J. Electrochem. En. Conv. Stor., 19(4), 10.
Datta, Dibakar, & Kashyap, Jatin (2022). Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT study. Journal of materials science,
SHOW MORE
Datta, Dibakar, & Mukherjee, Partha, & Chiu, Wilson (2021). Special Section on Mechanics of Electrochemical Energy Storage and Conversion. Journal of Electrochemical Energy Conversion and Storage, 1-2.
Datta, Dibakar, & Sharma, Vidushi, & Mitlin, David (2021). Understanding the Strength of the Selenium–Graphene Interfaces for Energy Storage Systems. Langmuir, 37(6), 2029-2039.
Datta, Dibakar, & Mitlin, David (2021). Selenium infiltrated hierarchical hollow carbon spheres display rapid kinetics and extended cycling as lithium metal battery (LMB) cathodes. Journal of Materials Chemistry A, 9(34), 18582-18593.
Datta, Dibakar (2021). Variation in the interface strength of silicon with surface engineered Ti 3 C 2 MXenes. Physical Chemistry Chemical Physics, 23(9),
Das, Shreeja, & Pegu, Hansraj, & Sahu, Kisor, & Nayak, Ameeya, & Ramakrishna, Seeram, & Datta, Dibakar, & Swayamjyoti, S (2020). 19 Machine learning in materials. Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures, 445.
Kashyap, Jatin, & Yang, Eui-Hyeok, & Datta, Dibakar (2020). Comprehensive understanding of water-driven graphene wrinkle life-cycle towards applications in flexible electronics: A computational study. arXiv preprint arXiv:2001.00614,
Datta, Dibakar, & Sharma, Vidushi (2020). Computational modeling of two-dimensional materials for sustainable energy storage. Bulletin of the American Physical Society, 65,
Kashyap, Jatin, & Yang, Eui-Hyeok, & Datta, Dibakar (2020). Computational study of the water-driven graphene wrinkle life-cycle towards applications in flexible electronics. Scientific reports, 10(1), 1--15.
Ghatak, Kamalika, & Kang, Kyung, & Yang, Eui-Hyeok, & Datta, Dibakar (2020). Controlled edge dependent stacking of WS 2-WS 2 Homo-and WS 2-WSe 2 Hetero-structures: A Computational Study. Scientific reports, 10(1), 1--11.
Das, Shreeja, & Pegu, Hansraj, & Sahu, Kisor, & Nayak, Ameeya, & Ramakrishna, Seeram, & Datta, Dibakar, & Swayamjyoti, Soumya (2020). Machine Learning in Materials Modeling--Fundamentals and the Opportunities in 2D Materials. arXiv preprint arXiv:2001.04605,
Sharma, Vidushi, & Ghatak, Kamalika, & Datta, Dibakar (2020). Two-dimensional materials and its heterostructures for energy storage. Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures, 385.
Sharma, Vidushi, & Mitlin, David, & Datta, Dibakar (2020). Understanding the Strength of the Selenium--Graphene Interfaces. arXiv preprint arXiv:2009.09138,
Sharma, Vidushi, & Datta, Dibakar (2020). Variation in interface strength of Silicon with surface engineered Ti3C2 MXenes. arXiv preprint arXiv:2009.12712,
Sharma, Vidushi, & Ghatak, Kamalika, & Datta, Dibakar (2019). Modeling of 2D Materials for Sustainable Energy Storage: Opportunities and Challenges. APS, 2019, A47--008.
Solanky, Priyanka, & Sharma, Vidushi, & Ghatak, Kamalika, & Kashyap, Jatin, & Datta, Dibakar (2019). The inherent behavior of graphene flakes in water: A molecular dynamics study. Computational Materials Science, 162, 140--147.
Dhankecha, Nil, & Sharma, Vidushi, & Datta, Dibakar (2019). Turbostratic Orientations, Water Confinement and Ductile-Brittle Fracture in Bi-layer Graphene. arXiv preprint arXiv:1910.13967,
Bertin, Nicolas, & Glavas, Vedran, & Datta, Dibakar, & Cai, Wei (2018). A spectral approach for discrete dislocation dynamics simulations of nanoindentation. Modelling and Simulation in Materials Science and Engineering, 26(5), 055004.
Sharma, Vidushi, & Ghatak, Kamalika, & Datta, Dibakar (2018). Amorphous germanium as a promising anode material for sodium ion batteries: a first principle study. Journal of Materials Science, 53(20), 14423--14434.
Ghatak, Kamalika, & Basu, Swastik, & Das, Tridip, & Sharma, Vidushi, & Kumar, Hemant, & Datta, Dibakar (2018). Effect of cobalt content on the electrochemical properties and structural stability of NCA type cathode materials. Physical Chemistry Chemical Physics, 20(35), 22805--22817.
Basu, Swastik, & Suresh, Shravan, & Ghatak, Kamalika, & Bartolucci, Stephen, & Gupta, Tushar, & Hundekar, Prateek, & Kumar, Rajesh, & Lu, Toh-Ming, & Datta, Dibakar, & Shi, Yunfeng, & others, (2018). Utilizing van der Waals slippery interfaces to enhance the electrochemical stability of silicon film anodes in lithium-ion batteries. ACS applied materials \& interfaces, 10(16), 13442--13451.
Li, Yinfeng, & Zhang, Weiwei, & Guo, Bill, & Datta, Dibakar (2017). Interlayer shear of nanomaterials: Graphene—graphene, boron nitride—boron nitride and graphene—boron nitride. acta mechanica solida sinica, 30(3), 234--240.
Wei, Anran, & Li, Yinfeng, & Datta, Dibakar, & Guo, Hui, & Lv, Ziang (2017). Mechanical properties of graphene grain boundary and hexagonal boron nitride lateral heterostructure with controlled domain size. Computational Materials Science, 126, 474--478.
Chandrakar, A, & Datta, Dibakar, & Nayak, AK, & Vinod, Gopika (2017). Statistical analysis of a time series relevant to passive systems of nuclear power plants. International Journal of System Assurance Engineering and Management, 8(1), 89--108.
Li, Yinfeng, & Wei, Anran, & Datta, Dibakar (2017). Thermal characteristics of graphene nanoribbons endorsed by surface functionalization. Carbon, 113, 274--282.
Li, Yinfeng, & Datta, Dibakar, & Li, Zhonghua (2015). Anomalous mechanical characteristics of graphene with tilt grain boundaries tuned by hydrogenation. Carbon, 90, 234--241.
Datta, Dibakar, & Nadimpalli, Siva, & Li, Yinfeng, & Shenoy, Vivek (2015). Effect of crack length and orientation on the mixed-mode fracture behavior of graphene. Extreme Mechanics Letters, 5, 10--17.
Li, Yinfeng, & Liu, Silin, & Datta, Dibakar, & Li, Zhonghua (2015). Surface hydrogenation regulated wrinkling and torque capability of hydrogenated graphene annulus under circular shearing. Scientific reports, 5, 16556.
Kim, Sang-Pil, & Datta, Dibakar, & Shenoy, Vivek (2014). Atomistic Mechanisms of Phase Boundary Evolution during Initial Lithiation of Crystalline Silicon. J. Phys. Chem. C, 118(31), 17247--17253.
Mukherjee, Rahul, & Thomas, Abhay, & Datta, Dibakar, & Singh, Eklavya, & Li, Junwen, & Eksik, Osman, & Shenoy, Vivek, & Koratkar, Nikhil (2014). Defect-induced plating of lithium metal within porous graphene networks. Nature communications, 5(1), 1--10.
Datta, Dibakar, & Li, Junwen, & Shenoy, Vivek (2014). Defective graphene as a high-capacity anode material for Na-and Ca-ion batteries. ACS applied materials \& interfaces, 6(3), 1788--1795.
Datta, Dibakar, & Li, Junwen, & Koratkar, Nikhil, & Shenoy, Vivek (2014). Enhanced lithiation in defective graphene. Carbon, 80, 305--310.
Datta, Dibakar, & Li, Yinfeng, & Nadimpalli, Shiva, & Shenoy, Vivek (2014). Fracture of 2D crystalline nanomaterials: effect of hydrogen functionalization and complex loading.
Datta, Dibakar, & Kumar, Hemant, & Shenoy, Vivek, & Nadimpalli, Shiva, & Li, Yinfeng (2014). Friction between bilayer of 2D crystalline nanomaterials: graphene--graphene, graphene--boron nitride, and boron nitride--boron nitride..
Datta, Dibakar, & Kim, Sang-Pil, & Shenoy, Vivek (2014). Graphene for its biomedical applications.
Li, Yinfeng, & Datta, Dibakar, & Li, Zhonghua, & Shenoy, Vivek (2014). Mechanical properties of hydrogen functionalized graphene allotropes. Computational materials science, 83, 212--216.
Datta, Dibakar, & Kim, Sang-Pil, & Shenoy, Vivek (2014). Mechanics of Graphene and CNT-polystyrene nanocomposites.
Li, Yinfeng, & Datta, Dibakar, & Li, Shihong, & Li, Zhonghua, & Shenoy, Vivek (2014). Patterned arrangement regulated mechanical properties of hydrogenated graphene. Computational materials science, 93, 68--73.
Datta, Dibakar (2014). Some Mathematical Problems in Materials Science.
Datta, Dibakar, & Li, Junwen, & Shenoy, Vivek (2014). Surface terminated germanene as emerging nanomaterials.
Datta, Dibakar (2013). Extreme Loading of Aircraft Fan Blade. arXiv preprint arXiv:1308.5213,
Datta, Dibakar (2013). Introduction to extended finite element (XFEM) method. arXiv preprint arXiv:1308.5208,
Fan, F, & Huang, S, & Yang, H, & Raju, M, & Datta, Dibakar, & Shenoy, V.B., & van Duin, A.C.T., & Zhang, S, & Zhu, T (2013). Mechanical Properties of Amorphous LixSi Alloys: A Reactive Force Field Study. Modelling and Simulation in Materials Science and Engineering,
Datta, Dibakar, & Heres, Jacobo (2013). Numerical Solution of Advection-Diffusion Equation Using Preconditionar as Incomplete LU Decomposition and the BiCGSTAB Aceleration Method. arXiv preprint arXiv:1308.5215,
Chen, Yantao, & Guo, Fei, & Jachak, Ashish, & Kim, Sang-Pil, & Datta, Dibakar, & Liu, Jingyu, & Kulaots, Indrek, & Vaslet, Charles, & Jang, Hee, & Huang, Jiaxing, & others, (2012). Aerosol Synthesis of Cargo-Filled Graphene Nanosacks. ACS Publications,
Guo, Fei, & Silverberg, Gregory, & Bowers, Shin, & Kim, Sang-Pil, & Datta, Dibakar, & Shenoy, Vivek, & Hurt, Robert (2012). Graphene-based environmental barriers. Environmental science \& technology, 46(14), 7717--7724.
Datta, Dibakar (2012). Project Report MD simulations of FCC (100) gold nanowire plastic deformations under tension.
Datta, Dibakar, & Medhekar, Nikhil, & Shenoy, Vivek (2012). Quantum Chemistry:::: Getting Started with Density Functional Theory Calculation Using VASP.
Datta, Dibakar (2011). Internship Report Steering Methodologies for X-FEM Cohesive Elements.
Cho, Jeong-Hyun, & Datta, Dibakar, & Park, Si-Young, & Shenoy, Vivek, & Gracias, David (2010). Plastic deformation drives wrinkling, saddling, and wedging of annular bilayer nanostructures. Nano letters,
Cho, Jeong-Hyun, & Datta, Dibakar, & Park, Si-Young, & Shenoy, Vivek, & Gracias, David (2010). Plastic deformation drives wrinkling, saddling, and wedging of annular bilayer nanostructures. Nano letters,
Datta, Dibakar (2009). Multiscale Structural Analysis.
Datta, Dibakar (2009). Multiscale Structural Analysis.
Mojiri, Saeid, & Datta, Dibakar (2009). VISNAV PROJECT.
Mojiri, Saeid, & Datta, Dibakar (2009). VISNAV PROJECT.
Datta, Dibakar, & others, (1976). KINETICS OF CATALYTIC VAPOUR PHASE HYDROGENATION OF NITROBENZENE TO ANILINE..
Datta, Dibakar, & Sharma, Vidushi, & Mitlin, David (2021). Understanding the Strength of the Selenium–Graphene Interfaces for Energy Storage Systems. Langmuir, 37(6), 2029-2039.
Datta, Dibakar, & Mitlin, David (2021). Selenium infiltrated hierarchical hollow carbon spheres display rapid kinetics and extended cycling as lithium metal battery (LMB) cathodes. Journal of Materials Chemistry A, 9(34), 18582-18593.
Datta, Dibakar (2021). Variation in the interface strength of silicon with surface engineered Ti 3 C 2 MXenes. Physical Chemistry Chemical Physics, 23(9),
Das, Shreeja, & Pegu, Hansraj, & Sahu, Kisor, & Nayak, Ameeya, & Ramakrishna, Seeram, & Datta, Dibakar, & Swayamjyoti, S (2020). 19 Machine learning in materials. Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures, 445.
Kashyap, Jatin, & Yang, Eui-Hyeok, & Datta, Dibakar (2020). Comprehensive understanding of water-driven graphene wrinkle life-cycle towards applications in flexible electronics: A computational study. arXiv preprint arXiv:2001.00614,
Datta, Dibakar, & Sharma, Vidushi (2020). Computational modeling of two-dimensional materials for sustainable energy storage. Bulletin of the American Physical Society, 65,
Kashyap, Jatin, & Yang, Eui-Hyeok, & Datta, Dibakar (2020). Computational study of the water-driven graphene wrinkle life-cycle towards applications in flexible electronics. Scientific reports, 10(1), 1--15.
Ghatak, Kamalika, & Kang, Kyung, & Yang, Eui-Hyeok, & Datta, Dibakar (2020). Controlled edge dependent stacking of WS 2-WS 2 Homo-and WS 2-WSe 2 Hetero-structures: A Computational Study. Scientific reports, 10(1), 1--11.
Das, Shreeja, & Pegu, Hansraj, & Sahu, Kisor, & Nayak, Ameeya, & Ramakrishna, Seeram, & Datta, Dibakar, & Swayamjyoti, Soumya (2020). Machine Learning in Materials Modeling--Fundamentals and the Opportunities in 2D Materials. arXiv preprint arXiv:2001.04605,
Sharma, Vidushi, & Ghatak, Kamalika, & Datta, Dibakar (2020). Two-dimensional materials and its heterostructures for energy storage. Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures, 385.
Sharma, Vidushi, & Mitlin, David, & Datta, Dibakar (2020). Understanding the Strength of the Selenium--Graphene Interfaces. arXiv preprint arXiv:2009.09138,
Sharma, Vidushi, & Datta, Dibakar (2020). Variation in interface strength of Silicon with surface engineered Ti3C2 MXenes. arXiv preprint arXiv:2009.12712,
Sharma, Vidushi, & Ghatak, Kamalika, & Datta, Dibakar (2019). Modeling of 2D Materials for Sustainable Energy Storage: Opportunities and Challenges. APS, 2019, A47--008.
Solanky, Priyanka, & Sharma, Vidushi, & Ghatak, Kamalika, & Kashyap, Jatin, & Datta, Dibakar (2019). The inherent behavior of graphene flakes in water: A molecular dynamics study. Computational Materials Science, 162, 140--147.
Dhankecha, Nil, & Sharma, Vidushi, & Datta, Dibakar (2019). Turbostratic Orientations, Water Confinement and Ductile-Brittle Fracture in Bi-layer Graphene. arXiv preprint arXiv:1910.13967,
Bertin, Nicolas, & Glavas, Vedran, & Datta, Dibakar, & Cai, Wei (2018). A spectral approach for discrete dislocation dynamics simulations of nanoindentation. Modelling and Simulation in Materials Science and Engineering, 26(5), 055004.
Sharma, Vidushi, & Ghatak, Kamalika, & Datta, Dibakar (2018). Amorphous germanium as a promising anode material for sodium ion batteries: a first principle study. Journal of Materials Science, 53(20), 14423--14434.
Ghatak, Kamalika, & Basu, Swastik, & Das, Tridip, & Sharma, Vidushi, & Kumar, Hemant, & Datta, Dibakar (2018). Effect of cobalt content on the electrochemical properties and structural stability of NCA type cathode materials. Physical Chemistry Chemical Physics, 20(35), 22805--22817.
Basu, Swastik, & Suresh, Shravan, & Ghatak, Kamalika, & Bartolucci, Stephen, & Gupta, Tushar, & Hundekar, Prateek, & Kumar, Rajesh, & Lu, Toh-Ming, & Datta, Dibakar, & Shi, Yunfeng, & others, (2018). Utilizing van der Waals slippery interfaces to enhance the electrochemical stability of silicon film anodes in lithium-ion batteries. ACS applied materials \& interfaces, 10(16), 13442--13451.
Li, Yinfeng, & Zhang, Weiwei, & Guo, Bill, & Datta, Dibakar (2017). Interlayer shear of nanomaterials: Graphene—graphene, boron nitride—boron nitride and graphene—boron nitride. acta mechanica solida sinica, 30(3), 234--240.
Wei, Anran, & Li, Yinfeng, & Datta, Dibakar, & Guo, Hui, & Lv, Ziang (2017). Mechanical properties of graphene grain boundary and hexagonal boron nitride lateral heterostructure with controlled domain size. Computational Materials Science, 126, 474--478.
Chandrakar, A, & Datta, Dibakar, & Nayak, AK, & Vinod, Gopika (2017). Statistical analysis of a time series relevant to passive systems of nuclear power plants. International Journal of System Assurance Engineering and Management, 8(1), 89--108.
Li, Yinfeng, & Wei, Anran, & Datta, Dibakar (2017). Thermal characteristics of graphene nanoribbons endorsed by surface functionalization. Carbon, 113, 274--282.
Li, Yinfeng, & Datta, Dibakar, & Li, Zhonghua (2015). Anomalous mechanical characteristics of graphene with tilt grain boundaries tuned by hydrogenation. Carbon, 90, 234--241.
Datta, Dibakar, & Nadimpalli, Siva, & Li, Yinfeng, & Shenoy, Vivek (2015). Effect of crack length and orientation on the mixed-mode fracture behavior of graphene. Extreme Mechanics Letters, 5, 10--17.
Li, Yinfeng, & Liu, Silin, & Datta, Dibakar, & Li, Zhonghua (2015). Surface hydrogenation regulated wrinkling and torque capability of hydrogenated graphene annulus under circular shearing. Scientific reports, 5, 16556.
Kim, Sang-Pil, & Datta, Dibakar, & Shenoy, Vivek (2014). Atomistic Mechanisms of Phase Boundary Evolution during Initial Lithiation of Crystalline Silicon. J. Phys. Chem. C, 118(31), 17247--17253.
Mukherjee, Rahul, & Thomas, Abhay, & Datta, Dibakar, & Singh, Eklavya, & Li, Junwen, & Eksik, Osman, & Shenoy, Vivek, & Koratkar, Nikhil (2014). Defect-induced plating of lithium metal within porous graphene networks. Nature communications, 5(1), 1--10.
Datta, Dibakar, & Li, Junwen, & Shenoy, Vivek (2014). Defective graphene as a high-capacity anode material for Na-and Ca-ion batteries. ACS applied materials \& interfaces, 6(3), 1788--1795.
Datta, Dibakar, & Li, Junwen, & Koratkar, Nikhil, & Shenoy, Vivek (2014). Enhanced lithiation in defective graphene. Carbon, 80, 305--310.
Datta, Dibakar, & Li, Yinfeng, & Nadimpalli, Shiva, & Shenoy, Vivek (2014). Fracture of 2D crystalline nanomaterials: effect of hydrogen functionalization and complex loading.
Datta, Dibakar, & Kumar, Hemant, & Shenoy, Vivek, & Nadimpalli, Shiva, & Li, Yinfeng (2014). Friction between bilayer of 2D crystalline nanomaterials: graphene--graphene, graphene--boron nitride, and boron nitride--boron nitride..
Datta, Dibakar, & Kim, Sang-Pil, & Shenoy, Vivek (2014). Graphene for its biomedical applications.
Li, Yinfeng, & Datta, Dibakar, & Li, Zhonghua, & Shenoy, Vivek (2014). Mechanical properties of hydrogen functionalized graphene allotropes. Computational materials science, 83, 212--216.
Datta, Dibakar, & Kim, Sang-Pil, & Shenoy, Vivek (2014). Mechanics of Graphene and CNT-polystyrene nanocomposites.
Li, Yinfeng, & Datta, Dibakar, & Li, Shihong, & Li, Zhonghua, & Shenoy, Vivek (2014). Patterned arrangement regulated mechanical properties of hydrogenated graphene. Computational materials science, 93, 68--73.
Datta, Dibakar (2014). Some Mathematical Problems in Materials Science.
Datta, Dibakar, & Li, Junwen, & Shenoy, Vivek (2014). Surface terminated germanene as emerging nanomaterials.
Datta, Dibakar (2013). Extreme Loading of Aircraft Fan Blade. arXiv preprint arXiv:1308.5213,
Datta, Dibakar (2013). Introduction to extended finite element (XFEM) method. arXiv preprint arXiv:1308.5208,
Fan, F, & Huang, S, & Yang, H, & Raju, M, & Datta, Dibakar, & Shenoy, V.B., & van Duin, A.C.T., & Zhang, S, & Zhu, T (2013). Mechanical Properties of Amorphous LixSi Alloys: A Reactive Force Field Study. Modelling and Simulation in Materials Science and Engineering,
Datta, Dibakar, & Heres, Jacobo (2013). Numerical Solution of Advection-Diffusion Equation Using Preconditionar as Incomplete LU Decomposition and the BiCGSTAB Aceleration Method. arXiv preprint arXiv:1308.5215,
Chen, Yantao, & Guo, Fei, & Jachak, Ashish, & Kim, Sang-Pil, & Datta, Dibakar, & Liu, Jingyu, & Kulaots, Indrek, & Vaslet, Charles, & Jang, Hee, & Huang, Jiaxing, & others, (2012). Aerosol Synthesis of Cargo-Filled Graphene Nanosacks. ACS Publications,
Guo, Fei, & Silverberg, Gregory, & Bowers, Shin, & Kim, Sang-Pil, & Datta, Dibakar, & Shenoy, Vivek, & Hurt, Robert (2012). Graphene-based environmental barriers. Environmental science \& technology, 46(14), 7717--7724.
Datta, Dibakar (2012). Project Report MD simulations of FCC (100) gold nanowire plastic deformations under tension.
Datta, Dibakar, & Medhekar, Nikhil, & Shenoy, Vivek (2012). Quantum Chemistry:::: Getting Started with Density Functional Theory Calculation Using VASP.
Datta, Dibakar (2011). Internship Report Steering Methodologies for X-FEM Cohesive Elements.
Cho, Jeong-Hyun, & Datta, Dibakar, & Park, Si-Young, & Shenoy, Vivek, & Gracias, David (2010). Plastic deformation drives wrinkling, saddling, and wedging of annular bilayer nanostructures. Nano letters,
Cho, Jeong-Hyun, & Datta, Dibakar, & Park, Si-Young, & Shenoy, Vivek, & Gracias, David (2010). Plastic deformation drives wrinkling, saddling, and wedging of annular bilayer nanostructures. Nano letters,
Datta, Dibakar (2009). Multiscale Structural Analysis.
Datta, Dibakar (2009). Multiscale Structural Analysis.
Mojiri, Saeid, & Datta, Dibakar (2009). VISNAV PROJECT.
Mojiri, Saeid, & Datta, Dibakar (2009). VISNAV PROJECT.
Datta, Dibakar, & others, (1976). KINETICS OF CATALYTIC VAPOUR PHASE HYDROGENATION OF NITROBENZENE TO ANILINE..
COLLAPSE
Conference Abstract
Interface strength of silicon with surface engineered 2D-materials
Bulletin of the American Physical Society, March 2021
Surface corrugations and layer thickness dependent frictional behavior of MoS2 – A computational study
Bulletin of the American Physical Society, March 2021
Bulletin of the American Physical Society, March 2021
Surface corrugations and layer thickness dependent frictional behavior of MoS2 – A computational study
Bulletin of the American Physical Society, March 2021
Conference Proceeding
Modeling the Interfacial Chemistry of Graphene-Based Composite Electrode Materials for Lithium Ion Battery
2020
Characterizing the Morphology of the Different Grown Homo/Hetero TMD Structures By Controlling Parameters--a Multiscale Computational Approach
2019
Chemo-mechanical modeling of defective graphene for energy storage in Lithium-Ion Battery
2019
Current Collector Interface for Phase Changing Tin Anode in Sodium Ion Batteries: Insight from First Principles Calculations
2019
Growth Physics of MoS2 Layer on the MoS2 Surface: A Monte Carlo Approach
2019
Surface hydrogenation manipulated mechanical properties of two dimensional carbon nanomaterials
2016
Functionalized Germanene as Emerging Nanomaterials
2014
2020
Characterizing the Morphology of the Different Grown Homo/Hetero TMD Structures By Controlling Parameters--a Multiscale Computational Approach
2019
Chemo-mechanical modeling of defective graphene for energy storage in Lithium-Ion Battery
2019
Current Collector Interface for Phase Changing Tin Anode in Sodium Ion Batteries: Insight from First Principles Calculations
2019
Growth Physics of MoS2 Layer on the MoS2 Surface: A Monte Carlo Approach
2019
Surface hydrogenation manipulated mechanical properties of two dimensional carbon nanomaterials
2016
Functionalized Germanene as Emerging Nanomaterials
2014
Other
Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures
Elsevier, 2020
A Special Issue on Modeling and nanofabrication of 1D and 2D materials
Elsevier, 2018
Theoretical and Numerical Study of New Non Local Front Damage Model
Ecole Centrale de Nantes, 2010
Theoretical and Numerical Study of New Non Local Front Damage Model
Ecole Centrale de Nantes, 2010
Elsevier, 2020
A Special Issue on Modeling and nanofabrication of 1D and 2D materials
Elsevier, 2018
Theoretical and Numerical Study of New Non Local Front Damage Model
Ecole Centrale de Nantes, 2010
Theoretical and Numerical Study of New Non Local Front Damage Model
Ecole Centrale de Nantes, 2010
Book
Datta, Dibakar, & Shenoy, Vivek (2014). Molecular Simulations Methods in Mechanics and Physics .