Frontiers in Materials Modelling and Design

Proceedings of the Conference on Frontiers in Materials Modelling and Design, Kalpakkam, 20–23 August 1996

  • Vijay Kumar
  • Surajit Sengupta
  • Baldev Raj
Conference proceedings

Table of contents

  1. Front Matter
    Pages I-XIV
  2. Introduction

    1. Front Matter
      Pages 1-1
    2. Vijay Kumar, Surajit Sengupta, Baldev Raj
      Pages 3-7
  3. Methodologies

  4. Alloys

    1. Front Matter
      Pages 99-99
    2. J. M. Sanchez
      Pages 101-107
    3. G. P. Das
      Pages 108-120
    4. Rajesh Ganesan, S. Vana Varamban
      Pages 137-141
    5. H. G. Salunke, G. P. Das, V. C. Sahni, P. Raj
      Pages 142-145
  5. Correlated Electron Systems

    1. Front Matter
      Pages 147-147
    2. S. Grabowski, J. Schmalian, M. Langer, K. H. Bennemann
      Pages 162-169
    3. A. Bharathi, Y. Hariharan, Awadhesh Mani, C. S. Sundar
      Pages 170-176
  6. Clusters and Nanomaterials

    1. Front Matter
      Pages 177-177
    2. P. Jena, S. N. Khanna, B. K. Rao
      Pages 179-186
    3. Vijay Kumar
      Pages 193-201
    4. D. G. Kanhere, Ajeeta Dhavale, Vaishali Shah
      Pages 202-208
    5. Vishal Mehra, Ramakrishna Ramaswamy
      Pages 209-213
    6. R. Chitra, S. Yashonath
      Pages 214-227
    7. S. K. Kulkarni, Manisha Kundu, Pramod Borse
      Pages 236-243
    8. Shailaja Mahamuni, Kavita Borgohain, B. S. Bendre, S. S. Joshi
      Pages 244-249
    9. Vijay A. Singh, George C. John
      Pages 250-256
    10. R. Rajaraman, Padma Gopalan, B. S. Panigrahi, M. Premila
      Pages 257-260
    11. Neeru Bhagat, Ajay Gupta, P. Duhaj
      Pages 261-264
    12. R. N. Panda, N. S. Gajbhiye
      Pages 265-268
  7. Surfaces and Interfaces

    1. Front Matter
      Pages 269-269
    2. Charusita Chakravarty, K. V. Thiruvengadaravi
      Pages 305-308
    3. Amitesh Paul, Ajay Gupta, Ratnesh Gupta, D. K. Avasthi, G. Principi
      Pages 309-312
  8. Phase Transitions

    1. Front Matter
      Pages 313-313
    2. Madan Rao, Surajit Sengupta, R. Shankar
      Pages 348-355
    3. B. K. Godwal, R. S. Rao, S. K. Sikka
      Pages 356-364
    4. P. Ch. Sahu, K. Govinda Rajan, N. V. Chandra Shekar, Mohammad Yousuf
      Pages 365-375

About these proceedings


These proceedings bring together state-of-the-art ab-initio and macroscopic, "coarse-grained" approaches for understanding technologically important problems in materials science. Contributions by experts present our current understanding of alloys, defects and deformation behaviour, surface phenomena, and the properties of small clusters and nano-materials. The use of simulational tools such as the Car-Parrinello method, Monte Carlo method, classical molecular dynamics and continuum finite element methods to study materials structure and behaviour is emphasized. Fundamental understanding obtained from such studies should help in designing novel materials with desired properties and in improving materials performance.


Nanomaterial Potential design development fullerenes interfaces modeling nanostructure simulation

Editors and affiliations

  • Vijay Kumar
    • 1
  • Surajit Sengupta
    • 1
  • Baldev Raj
    • 2
  1. 1.Materials Science DivisionIndira Gandhi Centre for Atomic ResearchKalpakkamIndia
  2. 2.Metallurgy and Materials GroupIndira Gandhi Centre for Atomic ResearchKalpakkamIndia

Bibliographic information

  • DOI
  • Copyright Information Springer-Verlag Berlin Heidelberg 1998
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-642-80480-9
  • Online ISBN 978-3-642-80478-6
  • Buy this book on publisher's site
Industry Sectors
Energy, Utilities & Environment