Photo of Dundar Yilmaz

Dundar Yilmaz

Associate Research Professor


  • Mechanical Engineering

138 Research East Building





  • BS, Solid state physics, Bilkent University, 2003
  • Ph D, Solid State Physics, Bilkent University, 2009


Journal Articles

  • Reifsnyder Hickey, Danielle, Dundar Yilmaz, Mikhail Chubarov, Saiphaneendra Bachu, Tanushree Choudhury, Leixin Miao, Chenhao Qian, Joan M Redwing, van Duin, Adri C. T. and Nasim Alem, 2021, "Formation of metal vacancy arrays in coalesced WS2 monolayer films", 2D MATERIALS, 8, (1)
  • K. P. Kelley, Dundar Yilmaz, L. Collins, Y. Sharma, H. N. Lee, D. Akbarian, van Duin, A. C. T., P. Ganesh and R. K. Vasudevan, 2020, "Thickness and strain dependence of piezoelectric coefficient in ${\mathrm{BaTiO}}_{3}$ thin films", Phys. Rev. Materials, 4, (2), pp. 024407
  • Nabankur Dasgupta, Dundar Yilmaz, van Duin and Adri, 2020, "Simulations of the Biodegradation of Citrate-Based Polymers for Artificial Scaffolds Using Accelerated Reactive Molecular Dynamics", JOURNAL OF PHYSICAL CHEMISTRY B, 124, (25), pp. 5311-5322
  • Dooman Akbarian, Hossein Hamedi, Behzad Damirchi, Dundar Yilmaz, Katheryn Penrod, Woodward, W. H. Hunter, Jonathan Moore, Michael T Lanagan and Theodore Zyra, 2019, "Atomistic-scale insights into the crosslinking of polyethylene induced by peroxides", POLYMER, 183
  • Dooman Akbarian, Dundar Yilmaz, Ye Cao, P. Ganesh, Ismaila Dabo, Jason Munro, Van Ginhoven, Renee and Theodore Zyra, 2019, "Understanding the influence of defects and surface chemistry on ferroelectric switching: a ReaxFF investigation of BaTiO3", PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21, (33), pp. 18240-18249
  • Roghayyeh Lotfi, Michael Naguib, Dundar Yilmaz, Jagjit Nanda and Adrianus C van Duin, 2018, "A comparative study on the oxidation of two-dimensional Ti3C2 MXene structures in different environments", JOURNAL OF MATERIALS CHEMISTRY A, 6, (26), pp. 12733-12743
  • Dundar Yilmaz, Roghayyeh Lotfi, Chowdhury Ashraf, Sungwook Hong and Adrianus C van Duin, 2018, "Defect Design of Two-Dimensional MoS2 Structures by Using a Graphene Layer and Potato Stamp Concept", JOURNAL OF PHYSICAL CHEMISTRY C, 122, (22), pp. 11911-11917
  • Xiahan Sang, Yu Xie, Dundar Yilmaz, Roghayyeh Lotfi, Mohamed Alhabeb, Alireza Ostadhossein, Babak Anasori, Weiwei Sun, Xufan Li, Kai Xiao, Kent, Paul R. C., Adrianus C van Duin, Yury Gogotsi and Raymond R. Unocic, 2018, "In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides", NATURE COMMUNICATIONS, 9
  • Dundar Yilmaz and Adrianus C van Duin, 2018, "Investigating structure property relations of poly (p-phenylene terephthalamide) fibers via reactive molecular dynamics simulations", POLYMER, 154, pp. 172-181
  • Jackelyn A. Martinez, Aleksandr Chernatynskiy, Dundar Yilmaz, Tao Liang, Susan Sinnott and Simon R. Phillpot, 2016, "Potential Optimization Software for Materials (POSMat)", COMPUTER PHYSICS COMMUNICATIONS, 203, pp. 201-211
  • Dundar Yilmaz, 2015, "Modeling failure mechanisms of poly(p-phenylene terephthalamide) fiber using reactive potentials", COMPUTATIONAL MATERIALS SCIENCE, 109, pp. 183-193

Conference Proceedings

  • Nabankur Dasgupta, Dundar Yilmaz, Van Duin and Adri, 2019, "Investigating the reactivity and mechanical properties of poly (1,6) hexane diol-co-citric acid via reactive molecular dynamics simulations", ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 257


  • Kasra Momeni, Yanzhou Ji, Yuanxi Wang, Shiddartha Paul, Sara Neshani, Dundar Yilmaz, Yun Kyung Shin, Difan Zhang, Jin-Wu Jiang, Harold S. Park, Susan Sinnott, van Duin, Adri, Vincent H Crespi and Long-Qing Chen, 2020, "Multiscale computational understanding and growth of 2D materials: a review", NPJ COMPUTATIONAL MATERIALS, 6, (1)

Research Projects

Honors and Awards


Service to Penn State:

Service to External Organizations:




With more than 60 faculty members, 330 graduate students, and 1,000 undergraduate students, the Penn State Department of Mechanical Engineering embraces a culture that welcomes individuals with a diversity of backgrounds and expertise. Our faculty and students are innovating today what will impact tomorrow’s solutions to meeting our energy needs, homeland security, biomedical devices, and transportation systems. We offer B.S. degrees in mechanical engineering as well as resident (M.S., Ph.D.) and online (M.S.) graduate degrees in mechanical engineering. See how we’re inspiring change and impacting tomorrow at

Department of Mechanical Engineering

137 Reber Building

The Pennsylvania State University

University Park, PA 16802-4400

Phone: 814-865-2519