Tahir Cagin

Professor - Materials Science and Engineering

Contact Information

Phone: (979) 862-0119

Fax: (979) 845-6446

E-mail: tcagin@tamu.edu

Departmental Page


  • Ph.D. 1998, Physics, Clemson University
  • M.S., Physics, Middle East Technical University
  • B.S., Physics, Middle East Technical University

Research Interests

Dr. Cagin's research focuses on computational materials science and nanotechnology with emphasis on design, characterization and development of multifunctional nano-structured materials for device and sensor applications; fundamental studies on transport phenomena (heat, mass and momentum) at nanoscale and in confined media; thermal, mechanical, electronic and magnetic properties and phase behavior of materials; materials for thermal management, power generation and energy harvesting; and development and application of multiscale simulation methods.


  • Professor, Department of Chemical Engineering, Texas A&M University
  • Professor, Department of Mechanical Engineering, Texas A&M University
  • Professor, Materials Science and Engineering, Texas A&M University


  • "Characterization of vibrational and mechanical properties of quaternary compounds Cu2ZnSnS4 and Cu2ZnSnSe4 in kesterite and stannite structures," Phys. Rev. B 84, 205201 (2011) with T. Gurel, et al.
  • "Pressure Induced Structural Transformations in Selected Metal Organic Frameworks – a Theoretical Investigation," Mater. Chem. Phys. 131, 44-51 (2011) with M. Mani-Biswas.
  • "Phonon engineering in carbon nanotubes by controlling defect concentration," Nano Letters 11, 4971-7 (2011) with C. Sevik, H. Sevincli, G. Cuniberti.
  • "Hydrogen bonding and molecular rearrangement in 1,3,5-triamino-2,4,6-trinitrobenzene under compression," J. Phys. Chem. B 115, 12085-93 (2011) with O. U. Ojeda.
  • B. Arman, Q. An, S.N. Luo, T. Desai, D.L. Tonks, T. Çağin, and W. A. Goddard, III "Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading," J. Appl. Phys. 108:12 (2010).
  • Mousumi Mani Biswas and Tahir Çağin, "Simulation Studies on Hydrogen Sorption and Its Thermodynamics in Covalently Linked Carbon Nanotube Scaffold," J. Phys. Chem. B 2010, 114, 13752–13763.
  • Alper Kinaci, C. Sevik, T. Çağin, "Electronic Transport Properties of SrTiO3 and its alloys," Phys. Rev. B 82, 155114 (2010).
  • S. O. Kart, T. Çağin, "Elastic properties of Ni2MnGa from first principles." J. Alloys & Compounds 508, 177-183 (2010).
  • Oscar U. Ojeda, T. Çağin, "Multiscale modeling of crystalline energetic materials," CMC, Vol. 16, No. 2, pp. 127-174 (2010).
  • Hieu H. Pham, T. Çağin, "Lattice dynamics and third order elastic constants of Fe from first principles," CMC, Vol. 16, No. 2, pp. 175-194 (2010).
  • Arnab Chakrabarty and Tahir Çağin,"Coarse Grain Modeling of Polyimide Copolymers," Polymer, 51, 2786-94 (2010) Bedri Arman, Sheng-Nian Luo, Timothy C. Germann, Tahir Çağin, "Dynamic response of Cu 46Zr 54 metallic glass to high-strain-rate shock loading: Plasticity, spall, and atomic-level structures,"Phys. Rev B 81(14), 144201 (2010).
  • Jennifer A. Carvajal-Diaz, T. Çağin, "Thermo-mechanical stability and strength of Peptide Nanostructures From Molecular Dynamics: Self-Assembled Cyclic Peptides Nanotubes,"Nanotech. 21, 115703 (2010).
  • B. Kim, A. Beskok, T. Çağin, "Heat Transfer in Nanoscale Shear Flow: Viscous Heating in Nanometer thin liquid Films," Microfluidics & Nanofluidics 9, 31-40 (2010).