Modeling failure mechanisms of poly(p-phenylene terephthalamide) fiber using reactive potentials von Yilmaz, Duendar E

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In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides von Sang, Xiahan, Xie, Yu, Yilmaz, Dundar E., Lotfi, Roghayyeh, Alhabeb, Mohamed, Ostadhossein, Alireza, Anasori, Babak, Sun, Weiwei, Li, Xufan, Xiao, Kai, Kent, Paul R. C., van Duin, Adri C. T., Gogotsi, Yury, Unocic, Raymond R.

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Reactive Potentials for Advanced Atomistic Simulations von Liang, Tao, Shin, Yun Kyung, Cheng, Yu-Ting, Yilmaz, Dundar E, Vishnu, Karthik Guda, Verners, Osvalds, Zou, Chenyu, Phillpot, Simon R, Sinnott, Susan B, van Duin, Adri C.T

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Multiscale computational understanding and growth of 2D materials: a review von Momeni, Kasra, Ji, Yanzhou, Wang, Yuanxi, Paul, Shiddartha, Neshani, Sara, Yilmaz, Dundar E., Shin, Yun Kyung, Zhang, Difan, Jiang, Jin-Wu, Park, Harold S., Sinnott, Susan, van Duin, Adri, Crespi, Vincent, Chen, Long-Qing

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A comparative study on the oxidation of two-dimensional Ti3C2 MXene structures in different environments von Lotfi, Roghayyeh, Naguib, Michael, Yilmaz, Dundar E, Nanda, Jagjit, van Duin, Adri C. T

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Simulations of the Biodegradation of Citrate-Based Polymers for Artificial Scaffolds Using Accelerated Reactive Molecular Dynamics von Dasgupta, Nabankur, Yilmaz, Dundar E, van Duin, Adri

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Machine Learning-Assisted Hybrid ReaxFF Simulations von Yilmaz, Dundar E, Woodward, William Hunter, van Duin, Adri C. T

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Understanding the influence of defects and surface chemistry on ferroelectric switching: a ReaxFF investigation of BaTiO3 von Akbarian, Dooman, Yilmaz, Dundar E, Cao, Ye, Ganesh, P, Dabo, Ismaila, Munro, Jason, Renee Van Ginhoven, Adri C T van Duin

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Analysis of strain fields in silicon nanocrystals von Yılmaz, Dündar E., Bulutay, Ceyhun, Çağın, Tahir

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Investigating structure property relations of poly (p-phenylene terephthalamide) fibers via reactive molecular dynamics simulations von Yilmaz, Dundar E., van Duin, Adri C.T.

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Oxygen Vacancy Injection as a Pathway to Enhancing Electromechanical Response in Ferroelectrics von Kelley, Kyle P., Morozovska, Anna N., Eliseev, Eugene A., Sharma, Vinit, Yilmaz, Dundar E., Duin, Adri C. T., Ganesh, Panchapakesan, Borisevich, Albina, Jesse, Stephen, Maksymovych, Peter, Balke, Nina, Kalinin, Sergei V., Vasudevan, Rama K.

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Atomistic-scale insights into the crosslinking of polyethylene induced by peroxides von Akbarian, Dooman, Hamedi, Hossein, Damirchi, Behzad, Yilmaz, Dundar E., Penrod, Katheryn, Woodward, W.H. Hunter, Moore, Jonathan, Lanagan, Michael T., van Duin, Adri C.T.

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Defect Design of Two-Dimensional MoS2 Structures by Using a Graphene Layer and Potato Stamp Concept von Yilmaz, Dundar E, Lotfi, Roghayyeh, Ashraf, Chowdhury, Hong, Sungwook, van Duin, Adri C. T

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Understanding the influence of defects and surface chemistry on ferroelectric switching: a ReaxFF investigation of BaTiO 3 von Akbarian, Dooman, Yilmaz, Dundar E, Cao, Ye, Ganesh, P, Dabo, Ismaila, Munro, Jason, Van Ginhoven, Renee, van Duin, Adri C T

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Potential Optimization Software for Materials (POSMat) von Martinez, Jackelyn A., Chernatynskiy, Aleksandr, Yilmaz, Dundar E., Liang▪, Tao, Sinnott, Susan B., Phillpot, Simon R.

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Direct Fabrication of Atomically Defined Pores in MXenes Using Feedback‐Driven STEM von Boebinger, Matthew G., Yilmaz, Dundar E., Ghosh, Ayana, Misra, Sudhajit, Mathis, Tyler S., Kalinin, Sergei V., Jesse, Stephen, Gogotsi, Yury, Duin, Adri C. T., Unocic, Raymond R.

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Formation of metal vacancy arrays in coalesced WS2 monolayer films von Reifsnyder Hickey, Danielle, Yilmaz, Dundar E, Chubarov, Mikhail, Bachu, Saiphaneendra, H Choudhury, Tanushree, Miao, Leixin, Qian, Chenhao, Redwing, Joan M, van Duin, Adri C T, Alem, Nasim

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C/H/O/F/Al ReaxFF Force Field Development and Application to Study the Condensed-Phase Poly(vinylidene fluoride) and Reaction Mechanisms with Aluminum von Gao, Yawei, Zhu, Wenbo, Wang, Tao, Yilmaz, Dundar E., van Duin, Adri. C. T.

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Fitting empirical potentials: Challenges and methodologies von Martinez, Jackelyn A., Yilmaz, Dundar E., Liang, Tao, Sinnott, Susan B., Phillpot, Simon R.

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A Graph Dynamical neural network approach for decoding dynamical states in ferroelectrics von Dhakane, Abhijeet, Xie, Tian, Yilmaz, Dundar E., Duin, Adri C.T. van, Sumpter, Bobby G., Ganesh, P.

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