Curriculum Vitae

PARTHA SARATHI GHOSH

Contact

Office: Metal Science Section, Materials Science Division Room 342 H, 3rd Floor, Common Facility Building (CFB), Bhabha Atomic Research Centre, Mumbai 400085, INDIA Email : ac88me@r.postjobfree.com / ac88me@r.postjobfree.com Google Scholar: https://scholar.google.co.in/citations?user=AGtwkEkAAAAJ&hl=en ORCID: https://orcid.org/000*-****-**** 1725

SCOPUS: https://www.scopus.com/authid/detail.uri?authorId=554******** Phone: +91-022-********, Mobile: +91-996*******

Residence: 715 Nilgiri, DAE Residential Colony

Anushaktinagar, Bhabha Atomic Research Centre, Mumbai 400096, INDIA Education

December 2018 Ph.D. in Physical Sciences

Homi Bhabha National Institute, Mumbai, India

September 2008 August 2009 One year Orientation course in Nuclear Science and Engineering, Bhabha Atomic Research Centre Training School, Mumbai, India.

Marks obtained: 83.3 %

September 2007 August 2008 Research Scholar, Institute for Plasma Research, Gandhinagar, India

August 2005 August 2007 Master Degree (M. Sc.) in Physics, Jadavpur University, Kolkata, India

Marks obtained: 76.4 %

August 2002 – July 2005 Graduate (B. Sc.) in Physics, Hooghly Mohsin College, University of Burdwan,

Burdwan, India.

Marks obtained: 71.1 %

Employment

September 2009 Present Scientific Officer

Bhabha Atomic Research Centre, Mumbai, India.

Research Interests

My research interest includes

• Study of phase stability and phase transformation pathways in Zr based and Ti based alloys using Ab initio simulation

• Study of high temperature vibrational properties of elements and alloys using Ab initio simulations

• Determine thermo physical and thermo mechanical properties of ThO2 and UO2 based Mixed Oxide Fuels for Nuclear Reactors using Classical Molecular Dynamics / Ab initio Simulations.

• Design of several nano phosphors (rare earths doped pyrochlores, perovskites, spinels, etc.) for efficient solid state lighting, X ray scintillator, bio imaging and phosphor thermometry using Ab initio simulations of their photo physical properties (host dopant energy transfer dynamics, defect mediated photoluminescence/ fluorescence, local site occupancy etc.). Major Subjects Studied

• Numerical Partial Differential Equations

• Ordinary Differential Equations and Dynamical Systems

• Partial Differential Equations

• Computational Physics

• Many body physics and Density Functional Theory

Computational skills

• Programming Languages : FORTRAN 90, Python (preliminary level)

• OS : WINDOWS, LINUX.

• Software: Ab initio Simulation Packages: VASP, Quantum Espresso (PWSCF) Classical Molecular Dynamics Simulation Packages: LAMMPS Awards & Fellowship

Qualified NATIONAL LEVEL ELIGIBILITY TEST (NET) FOR LECTURESHIP in Physical Sciences, December 2006.

Qualified JOINT CSIR UGC TEST FOR JUNIOR RESEARCH FELLOWSHIP (JRF) AND ELIGIBILITY FOR LECTURESHIP (NET) in Physical Sciences, June 2007.

Secured 3rd place in One year Orientation course in Nuclear Science and Engineering, 52nd batch of Bhabha Atomic Research Centre Training School, Mumbai, India.

Got best poster award in International Thorium Energy Conference 2015 (ThEC15) for the work entitled “Determination of thermo physical properties of (Th,Ce)O2 MOX using classical molecular dynamics simulations” by P.S. Ghosh, A. Arya, G.K. Dey, P.S. Somayajulu which also appeared in Proceedings of the International Thorium Energy Conference 2015

(ThEC15), October 12 15, 2015, Mumbai, India.

Got Best Ph.D. Thesis Award in Solid State Physics from Indian Physics Association in 2017 for the thesis entitled “Theoretical Studies on Phase Transformations and Relevant Thermal Properties of Zr and ThO2 based Nuclear Materials” by P.S. Ghosh.

Contribution towards open International Crystal Structure Database (ICSD) from the work

“Phase Stability, Electronic Structures and Elastic Properties of (U,Np)O2 and (Th,Np)O2 Mixed Oxides” by P.S. Ghosh, N. Kuganathan, A. Arya and R.W. Grimes, Physical Chemistry Chemical Physics 20 (2018) 187**-*****. The special sqasi random structures of (U,Np)O2 and (Th,Np)O2 MOX optimized using density functional theory based calculations are provided to ICSD database on their request and those structures will be available online shortly. Internation Collaboration

Associated with EPSRC funded Indo UK civil nuclear collaboration project entitled “Fundamental Properties of Thoria Based Mixed Oxides” for last four years. In this collaborative project, Prof. Robin W. Grimes from Department of Materials, Imperial College London, UK is the UK counter part. Professional Affiliations

Life Member of “Indian Institute of Metals (IIM)” since 2016.

Life Member of “Materials Research Society of India (MRSI)” since 2010. List of Publications

Journals

2019

1. “Roles of Oxygen Vacancies and pH Induced Size Changes on Photo and Radioluminescence of Undoped and Eu3+ Doped La2Zr2O7 Nanoparticles”

Santosh K Gupta, Maya Abdou, Jose P. Zuniga, Partha S. Ghosh, Enrique Molina, Ben Xu, Mircea Chipara, Yuanbing Mao

Journal of Luminescence 209 (2019) 302 315.

2. “Thermally Induced Disorder Order Phase Transition of Gd2Hf2O7:Eu3+ Nanoparticles and Its Implication on Photo and Radioluminescence”

Santosh K. Gupta, Maya Abdou, Partha Sarathi Ghosh, Jose P. Zuniga and Yuanbing Mao ACS Omega 4-201*-****-****.

3. “Thermal and Diffusional Properties of (U,Np)O2 and (Th,Np)O2 Mixed Oxides” P.S. Ghosh, A. Arya, N. Kuganathan and R.W. Grimes, Journal of Nuclear Materials (2019, Accepted).

4. “First Principles Study of Phase Stability, Electronic and Mechanical Properties of Plutonium Sesquioxides”

P.S. Ghosh, A. Arya

Physical Chemistry Chemical Physics (2019, Under Review). 2018

5. “A computational study of high pressure polymorphic transformations in monazite type LaPO4” P.S. Ghosh, K. Ali, A. Arya

Physical Chemistry Chemical Physics 20-201*-****-****. 6. “Phase Stability, Electronic Structures and Elastic Properties of (U,Np)O2 and (Th,Np)O2 Mixed Oxides”

P.S. Ghosh, N. Kuganathan, A. Arya and R.W. Grimes, Physical Chemistry Chemical Physics 20 (2018) 187**-*****. 7. “Helium Trapping in Thorium Dioxide”

N. Kuganathan, P.S. Ghosh, A. Arya and R.W. Grimes, Journal of Nuclear Materials 507 (2018) 288 296.

8. “Exploring Defect Induced Emission in ZnAl2O4: An Exceptional Color Tunable Phosphor Material with Diverse Lifetimes”

Nimai Pathak, Partha Sarathi Ghosh, Suryansh Saxena, Dhanadeep Dutta, Ashok Kumar Yadav, Dibyendu Bhattacharyya, Shambhu Nath Jha, Ramakant Mahadeo Kadam Inorganic chemistry 57 (7) (2018) 3963–3982 (DOI: 10.1021/acs.inorgchem.8b00172). 9. “Correlating Structure and Luminescence Properties of Undoped and Eu3+ Doped La2Hf2O7 Nanoparticles Prepared with Different Coprecipitating pH Values through Experimental and Theoretical Studies”

Santosh K. Gupta, Jose P. Zuniga, Partha Sarathi Ghosh, Maya Abdou, Yuanbing Mao

Inorganic chemistry 57 (18) (2018) 118**-*****.

10. “Orange red emitting Gd2Zr2O7:Sm3+: Structure property correlation, optical properties and defect spectroscopy”

Santosh K Gupta, C Reghukumar, K Sudarshan, P.S. Ghosh, Nimai Pathak, RM Kadam Journal Journal of Physics and Chemistry of Solids 116 (2018) 360 366. 11. “Phase Transition in Metal Organic Complex trans PtCl2 (PEt3)2 under pressure insights of molecular and crystal structure”

Naini Bajaj, Himal Bhatt, K. K. Pandey, H. K. Poswal, A. Arya, P. S. Ghosh, N. Garg and M. N. Deo

Cryst. Eng. Comm. 20-201*-****-****,

12. “Yellow Emission from Low Coordination Site of Sr2SiO4:Eu2+, Ce3+: Influence of Lanthanide Dopants on the Electron Density and Crystallinity in Crystal Site Engineering Approach” Rajaboopathi Mani, Santosh Kumar Gupta, Partha Sarathi Ghosh, Huaidong Jiang Chemistry A European Journal 24 (2018) 1 12, https://doi.org/10.1002/chem.201803232. 2017

13. “Study of structural, mechanical and thermal properties of θ Fe 3C, o Fe7C3 and h Fe7C3 phases using molecular dynamics simulations

P.S. Ghosh, K. Ali, A. Vineet, A. Voleti, A. Arya

Journal of Alloys and Compounds 726 (201*-***-****-**. “A DFT study of structural, elastic and thermodynamical properties of Fe2Zr and FeZr2 Phases” K. Ali, P.S. Ghosh and A. Arya,

Journal of Alloys and Compounds 723 (2017) 611 619. 15. “Energetics of Halogen Impurity in Thorium Dioxides” N. Kuganathan, P.S. Ghosh, A. Arya, G.K. Dey and R.W. Grimes, Journal of Nuclear Materials 495 (2017) 192 201.

16. “Fission gas in thoria”

Navaratnarajah Kuganathan, Partha S. Ghosh, Conor O.T. Galvin, Ashok K. Arya, Bijon K. Dutta, Gautam K. Dey, Robin W. Grimes

Journal of Nuclear Materials 485 (2017) 47 55.

17. “Origin of Blue Green Emission in α Zn2P2O7 and Local Structure of Ln3+ Ion in α Zn2P2O7:Ln3+ (Ln = Sm, Eu): Time Resolved Photoluminescence, EXAFS, and DFT Measurements”

Santosh Kumar Gupta, Partha Sarathi Ghosh, Ashok Kumar Yadav, Shambhu Nath Jha, Dibyendu Bhattacharyya and Ramakant Mahadeo Kadam, Inorganic Chemistry 56(1) (2017) 167 178.

18. “On the photophysics and speciation of actinide ion in MgAl2O4 spinel using photoluminescence spectroscopy and first principle calculation: A case study with uranium” Santosh K. Gupta, Nimai Pathak, P.S. Ghosh, R.M. Kadam Journal of Alloys and Compounds 695 (2017) 237 343. 19. “Defect induced ferromagnetism in MgO and its exceptional enhancement upon thermal annealing: a case of transformation of various defect states”, N. Pathak, S.K. Gupta, C.L. Prajapat, S.K. Sharma, P.S. Ghosh, B. Kanar and R.M. Kadam, Physical Chemistry Chemical Physics 10 (2017) 119**-*****. 2016

20. Melting Behaviour of (Th,U)O2 and (Th,Pu)O2 Mixed Oxides"; P.S. Ghosh, N. Kuganathan, C.O.T. Galvin, A. Arya, G.K. Dey, B.K. Dutta, R.W. Grimes, Journal of Nuclear Materials 476 (2016) 112 122.

21. “A computational study on the superionic behaviour of ThO2”, P.S. Ghosh, A. Arya, G. K. Dey, N. Kuganathanb and R. W. Grimes, Physical Chemistry and Chemical Physics 18 (2016) 314**-*****. 22. "Thermal expansion and thermal conductivity of (Th,Pu)O2 mixed oxides: A molecular dynamics and experimental study",

P.S. Somayajulu, P.S. Ghosh, A. Arya, K.V. Vrinda Devi, D.B. Sathe, J. Banerjee, K.B. Khan, G.K. Dey, B.K. Dutta,

Journal of Alloys and Compounds 664 (2016) 291 303. 23. “Luminescence Properties of SrZrO3/Tb3+ Perovskite: Host Dopant Energy Transfer Dynamics and Local Structure of Tb3+

Santosh Kumar Gupta, Partha Sarathi Ghosh, Ashok Kumar Yadav, Nimai Pathak, Ashok Arya, Shambhu Nath Jha, Dibyendu Bhattacharyya, and Ramakant Mahadeo Kadam Inorganic Chemistry 55(4) (201*-****-****.

24. “Role of various defects in the photoluminescence characteristics of nanocrystalline Nd2Zr2O7: an investigation through spectroscopic and DFT calculations” S.K. Gupta,K. Sudarshan, P.S. Ghosh, A. P. Srivastava, S. Bevara, P.K. Pujari and R. M. Kadam

Journal of Materials Chemistry C 4(22) (201*-****-****. 25. “An Insight into the Various Defects Induced Emission in MgAl2O4 and Their Tunability with Phase Behavior: Combined Experimental and Theoretical Approach” Nimai Pathak, Partha Sarathi Ghosh, Santosh Kumar Gupta, Saurabh Mukherjee, Ramakant Mahadeo Kadam, and Ashok Arya

Journal of Physical Chemistry C 120(7) (201*-****-****. 26. “Defects induced changes in the electronic structures of MgO and their correlation with the optical properties: a special case of electron–hole recombination from the conduction band” Nimai Pathak, Partha Sarathi Ghosh, Santosh K. Gupta, Ramakant Mahadeo Kadam and Ashok Arya,

RSC Adv. 6 (2016) 96398.

27. "A first principles study of cohesive, elastic and electronic properties of binary Fe Zr intermetallics",

Kawsar Ali, A. Arya, P.S. Ghosh, G.K. Dey,

Computational Materials Science 112 (2016) 52 66.

28. "Luminescence of undoped and Eu3+ doped nanocrystalline SrWO4 scheelite: time resolved fluorescence complimented by DFT and positron annihilation spectroscopic studies", Santosh K. Gupta, K. Sudarshan, P.S. Ghosh, K. Sanyal, A. P. Srivastava, A. Arya, P. K. Pujari and R. M. Kadam,

RSC Adv. 6 (2016) 3792.

29. “Doping induced room temperature stabilization of metastable β Ag2WO4 and origin of visible emission in α and β Ag 2WO4: low temperature photolumiminesence studies Santosh K. Gupta, K. Sudarshan, P.S. Ghosh, S. Mukharjee and R. M. Kadam, J. Phys. Chem. C 120 (13-201*-****-****.

30. “Why host to dopant energy transfer is absent in the MgAl2O4:Eu3+ spinel? And exploring Eu3+ site distribution and local symmetry through its photoluminescence: interplay of experiment and theory”

Santosh K. Gupta, P.S. Ghosh, Nimai Pathak and R. M. Kadam RSC Adv. 6 (2016) 429**-*****.

31. “Experimental and theoretical approach to account for green luminescence from Gd2Zr2O7 pyrochlore: exploring the site occupancy and origin of host dopant energy transfer in Gd2Zr2O7:Eu3+”

Santosh K. Gupta, P.S. Ghosh, C. Reghukumar, N. Pathak and R. M. Kadam RSC Adv. 6 (2016) 449**-*****.

2015

32. "Thermal expansion and thermal conductivity of (Th,U)O2 mixed oxides: A molecular dynamics and experimental study",

P.S. Ghosh, P.S. Somayajulu, K. Krishnan, N. Pathak, A. Arya, G.K. Dey, Journal of Alloys and Compounds 650 (2015) 165 177. 33. "Prediction of ordered omega phase formation by coupled replacive displacive processes in Zr3Al2Nb and Zr4AlNb alloy: a first principles study", P.S. Ghosh, A. Arya and G.K. Dey,

Philosophical Magazine, vol. 95, No. 11-201*-****-****. 34. "Thermal expansion and thermal conductivity of (Th,Ce)O2 mixed oxides: A molecular dynamics and experimental study",

P.S. Ghosh, P.S. Somayajulu, A. Arya, G.K. Dey, B.K. Dutta, Journal of Alloys and Compounds 638 (2015) 172 181. 35. "Experimental and molecular dynamics study of thermo physical and transport properties of ThO2 5wt.%CeO2 mixed oxides",

P.S. Somayajulu, P.S. Ghosh, J. Banerjee, K.L.N.C. Babu, K.M. Danny, B.P. Mandal, T. Mahata, P. Sengupta, S.K. Sali, A. Arya,

Journal of Nuclear Materials 467 (2015) 644 659.

36. "Multifunctional pure and Eu3+ doped β Ag 2MoO4: photoluminescence, energy transfer dynamics and defect induced properties",

Santosh K. Gupta, P.S. Ghosh, K. Sudarshan, Ruma Gupta, P. K. Pujari and R. M. Kadam, Dalton Transactions 44 (2015) 190**-*****.

37. "Energy transfer dynamics and luminescence properties of Eu3+ in CaMoO4 and SrMoO4", Santosh K. Gupta, M. Sahu, P.S. Ghosh, Deepak Tyagi, M. K. Saxena and R. M. Kadam, Dalton Transactions 44 (2015) 189**-*****.

38. "Intense red emitting monoclinic LaPO4:Eu3+ nanoparticles: host dopant energy transfer dynamics and photoluminescence properties",

Santosh K. Gupta, P.S. Ghosh, M. Sahu, K. Bhattacharyya, R. Tewari and V. Natarajan, RSC Adv. 5 (2015) 58832.

39. "Probing local site environments and distribution of manganese in SrZrO3:Mn; PL and EPR spectroscopy complimented by DFT calculations",

Nimai Pathak, Santosh K. Gupta, P.S. Ghosh, A. Arya, V. Natarajan and R. M. Kadam, RSC Adv., 5 (2015) 17501.

40. "Nature of defects in blue light emitting CaZrO3: spectroscopic and theoretical study", Santosh K. Gupta, P.S. Ghosh, N. Pathak and R. Tewari, RSC Adv. 5 (2015) 56526.

2014

41. "Ab initio study of long period superstructures and anti phase boundaries in Al rich γ TiAl

(L10) based alloys",

P.S. Ghosh, A. Arya, U.D. Kulkarni, G.K. Dey, S. Hata, T. Nakano, K. Hagihara and H. Nakashima,

Philosophical Magazine 94-201*-****-****.

42. "Alpha to omega martensitic phase transformation pathways in pure Zr", Partha S. Ghosh, A. Arya, R. Tewari, G.K. Dey,

Journal of Alloys and Compounds 586 (2014) 693 698. 43. "Origin of blue emission in ThO2 nanorods: exploring it as a host for photoluminescence of Eu3+, Tb3+ and Dy3+",

Santosh K. Gupta, P.S. Ghosh, A. Arya and V. Natarajan, RSC Adv. 4 (2014) 51244.

44. "Understanding the local environment of Sm3+ in doped SrZrO3 and energy transfer mechanism using time resolved luminescence: a combined theoretical and experimental approach", Santosh K. Gupta, P. S. Ghosh, Nimai Pathak, A. Arya and V. Natarajan, RSC Adv. 4 (2014) 29202.

2013

45. "First principles investigation of phase stability and electronic structure of tetragonal (P4/m) Ga3 xAlxTi2 (x = 0 3) compounds",

P. S. Ghosh, A. Arya, U. D. Kulkarni, G. K. Dey, T. Nakano, Y. Umakoshi, K. Hagihara and S. Hata,

Philosophical Magazine Letters Vol 93, No. 5 (2013) 273 282. 2012

46. "Ab initio study on the formation of chemically ordered Zr2Al phase by coupled replacive displacive transformation",

P.S. Ghosh, A. Arya, R. Tewari, U.D. Kulkarni and G.K. Dey, Philosophical Magazine Vol. 92, No. 33-201*-****-****. Conference Proceedings

1. “Ab initio study of pressure evolution of structural, mechanical and magnetic properties of cementite (Fe3C)”

S. Gorai, P. S. Ghosh, C. Bhattacharya, and A. Arya AIP Conference Proceedings 1942, 030015 (2018); https://doi.org/10.1063/1.5028596 2. “A DFT study of thermodynamic properties of C36 and C14 Fe2Zr Laves phases” Kawsar Ali, P. S. Ghosh, and A. K. Arya

AIP Conference Proceedings 1942, 090035 (2018); https://doi.org/10.1063/1.5028950 3. “Ab initio study of charged oxygen defects in Gd2Zr2O7” P.S. Ghosh, K Ali, A Arya

AIP Conference Proceedings 1832 (2017) 140002.

4. “Theoretical Studies on Phase Transformations and Relevant Thermal Properties of Zr and ThO2 based Nuclear Materials”

P.S. Ghosh

63rd DAE Solid State Physics Symposium 2017

“Indian Physics Association Best Ph.D. Thesis Award in Solid State Physics” year 2017. 5. “Ab initio study of replacive displacive phase transformations in Zr2Al Nb alloys” P.S. Ghosh, A. Arya and G.K. Dey

Proceedings of the International conference on advances in refractory and reactive metals and alloys (ARRMA); Mumbai (India); 27 29 Jan 2016.

6. "Determination of thermal properties pure ThO2 using classical molecular dynamics simulations";

P.S. Ghosh, Karamvir Kaur, K Ali, A Arya, GK Dey;

AIP Conference Proceedings 1731 (2016) 140029; doi:http://dx.doi.org/10.1063/1.4948195. 7. "Ab initio study of oxygen defects in pure ThO2" P.S. Ghosh, SK Gupta, K Ali, A Arya, GK Dey;

AIP Conference Proceedings 1731 (2016) 140031.

8. “Determination of thermo physical properties of (Th,Ce)O2 MOX using classical molecular dynamics simulations”

P.S. Ghosh, A. Arya, G.K. Dey, P.S. Somayajulu

Proceedings of the International Thorium Energy Conference 2015 (ThEC15), October 12 15, 2015 Mumbai, India. (Best Poster Award). 9. "Determination of thermal expansion, thermal conductivity and melting temperature of ThO2 using classical molecular dynamics simulations"

P. S. Ghosh, N. Kuganathan, C.O.T. Galvin, A. Arya, B. K. Dutta, G. K. Dey and R. W Grimes

Proceedings of the International Thorium Energy Conference 2015 (ThEC15), October 12 15, 2015 Mumbai, India.

10. "Pathways of mixed mode phase transformation in U Zr system through ab initio and experimental studies";

S. Banerjee, P.S. Ghosh, A. Arya, A.C. Bagchi, G.K. Dey TMS 2015 144th Annual meeting and exhibition, March 15 19, 2015, Orlando, FL, USA. 11. "A first principle study of the pressure dependent elastic properties of monazite LaPO4"; Kawsar Ali, A Arya, P.S. Ghosh, GK Dey;

AIP Conference Proceeding 1728, 020090 1–020090 4; doi: 10.1063/1.4946141 12. "Parameterization of Interatomic Potential by Genetic Algorithms: A Case Study" Partha S. Ghosh, Y.S. Ranawat, A. Arya and G.K. Dey; AIP Conference Proceedings 1665 (2015) 140035; doi: 10.1063/1.4918244. 13. "Parameterization of Interatomic Potential by Genetic Algorithms: A Case Study" Partha S. Ghosh, Y.S. Ranawat, A. Arya and G.K. Dey; AIP Conference Proceedings 1665 (2015) 140035; doi: 10.1063/1.4918244. 14. "Ab initio Study of High Temperature Lattice Dynamics of BCC Zirconium ( β Zr) and Uranium ( γ U)",

Partha S. Ghosh, A. Arya and G.K. Dey,

AIP Conference Proceedings 1591 (2014) 1062; doi: 10.1063/1.4872853. 15. "HCP to Omega Martensitic Phase Transformation Pathway in Pure Zr", Partha S. Ghosh, A. Arya and G.K. Dey,

AIP Conf. Proc. 1512 (2013) 48 49; doi: 10.1063/1.4790904.

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