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1

Metal–Organic–Inorganic Nanocomposite Thermal Interface Materials with Ultralow Thermal Resistances

Yegin, Cengiz, Nagabandi, Nirup, Feng, Xuhui, King, Charles, Catalano, Massimo, Oh, Jun Kyun, Talib, Ansam J., Scholar, Ethan A., Verkhoturov, Stanislav V., Cagin, Tahir, Sokolov, Alexei V., Kim, Moon

Journal:

ACS Applied Materials & Interfaces

Year:

2017

Language:

english

File:

PDF, 11.43 MB

english, 2017

2

First Principles Calculation of p K a Values for 5-Substituted Uracils

Jang, Yun Hee, Sowers, Lawrence C., Çaǧin, Tahir, Goddard, William A.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 141 KB

english, 2001

3

Anisotropic behavior of energetic materials at elevated pressure and temperature

O.U. Ojeda Mota, Tahir Çağın

Journal:

Journal of Loss Prevention in the Process Industries

Year:

2011

Language:

english

File:

PDF, 1.59 MB

english, 2011

4

Simulation and experiments on friction and wear of diamond: a material for MEMS and NEMS application

Çagin, Tahir, Che, Jianwei, Gardos, Michael N, Fijany, Amir, Goddard, William A

Journal:

Year:

1999

Language:

english

File:

PDF, 496 KB

english, 1999

5

Elastic constants of sodium from molecular dynamics

Çagin, Tahir, Ray, John R.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 752 KB

english, 1988

6

Structure of PAMAM Dendrimers: Generations 1 through 11

Maiti, Prabal K., Çaǧın, Tahir, Wang, Guofeng, Goddard, William A.

Journal:

Year:

2004

Language:

english

File:

PDF, 2.77 MB

english, 2004

7

Equilibrium limit of thermal conduction and boundary scattering in nanostructures

Haskins, Justin B., Kınacı, Alper, Sevik, Cem, Çağın, Tahir

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.44 MB

english, 2014

8

Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals: Cu-Ag and Cu-Ni

Qi, Yue, Çağın, Tahir, Kimura, Yoshitaka, Goddard, William A.

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 186 KB

english, 1999

9

Ionic Overlayers on Corrugated Surfaces I: Structure

Çağin, Tahir, Sen, Surajit, Seong, Hyangsuk, Mahanti, S.D.

Journal:

MRS Proceedings

Year:

1992

Language:

english

File:

PDF, 301 KB

english, 1992

10

Fundamental studies on stress-corrosion cracking in iron and underlying mechanisms

Hieu H. Pham, Tahir Cagin

Journal:

Acta Materialia

Year:

2010

Language:

english

File:

PDF, 1.31 MB

english, 2010

11

Strategies for multiscale modeling and simulation of organic materials: polymers and biopolymers

William A Goddard III, Tahir Cagin, Mario Blanco, Nagarajan Vaidehi, Siddharth Dasgupta, Wely Floriano, Michael Belmares, Jeremy Kua, Georgios Zamanakos, Seichi Kashihara, Mihail Iotov, Guanghua Gao

Journal:

Computational and Theoretical Polymer Science

Year:

2001

Language:

english

File:

PDF, 481 KB

english, 2001

12

Viscosities of liquid metal alloys from nonequilibrium molecular dynamics

Yue Qi, Tahir Çağin, Yoshitaka Kimura, William A. Goddard

Journal:

Scientific Modeling and Simulation SMNS

Year:

2001

Language:

english

File:

PDF, 119 KB

english, 2001

13

Ionic Overlayers on Corrugated Surfaces II: Melting

Seong, Hyangsuk, Mahanti, S.D., Sen, Surajit, Çağin, Tahir

Journal:

MRS Proceedings

Year:

1992

Language:

english

File:

PDF, 277 KB

english, 1992

14

Multiscale Modeling (From Atoms to Devices) || First-Principles Alloy Thermodynamics

Derosa, Pedro, Cagin, Tahir

Year:

2010

Language:

english

File:

PDF, 1.52 MB

english, 2010

15

Molecular dynamics simulations of 1/2 a〈1 1 1〉 screw dislocation in Ta

Guofeng Wang, Alejandro Strachan, Tahir Cagin, William A. Goddard III

Journal:

Materials Science and Engineering: A

Year:

2001

Language:

english

File:

PDF, 242 KB

english, 2001

16

Generalized extended empirical bond-order dependent force fields including nonbond interactions

Jianwei Che, Tahir Çağın, William A. Goddard III

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1999

Language:

english

File:

PDF, 214 KB

english, 1999

17

Recent Advances in Simulation of Dendritic Polymers

Çağin, Tahir, Miklis, Paul J., Wang, Guofeng, Zamanakos, Georgios, Martin, Ryan, Li, Hao, Mainz, Daniel T., Nagarajan, Vaidehi, Goddard, William A.

Journal:

MRS Proceedings

Year:

1998

Language:

english

File:

PDF, 2.22 MB

english, 1998

18

Influence of H-Content on Thermo-Mechanical Properties of NiAl Alloys

Aslan, Uğur, Çağın, Tahir

Journal:

Materials Science Forum

Year:

2018

Language:

english

File:

PDF, 425 KB

english, 2018

19

Novel algorithms for massively parallel, long-term, simulation of molecular dynamics systems

Amir Fijany, Tahir Çağin, Andres Jaramillo-Botero, William Goddard III

Journal:

Advances in Engineering Software (Thomson Reuters)

Year:

1998

Language:

english

File:

PDF, 234 KB

english, 1998

20

Finite-temperature elasticity of fcc Al: Atomistic simulations and ultrasonic measurements

Pham, Hieu H., Williams, Michael E., Mahaffey, Patrick, Radovic, Miladin, Arroyave, Raymundo, Cagin, Tahir

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 578 KB

english, 2011

21

Nanophase Segregation and Water Dynamics in the Dendrion Diblock Copolymer Formed from the Fréchet Polyaryl Ethereal Dendrimer and Linear PTFE

Jang, Seung Soon, Lin, Shiang-Tai, Çaǧın, Tahir, Molinero, Valeria, Goddard, William A.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 1.33 MB

english, 2005

22

Deformation Behavior of FCC Crystalline Metallic Nanowires Under High Strain Rates

Qi, Yue, Ikeda, Hideyuki, Cagin, Tahir, Samwer, Konrad, Johnson, William L., Goddard, William A.

Journal:

MRS Proceedings

Year:

1998

Language:

english

File:

PDF, 1.69 MB

english, 1998

23

Phase diagram of MgO from density-functional theory and molecular-dynamics simulations

Strachan, Alejandro, Çağin, Tahir, Goddard, William A.

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 213 KB

english, 1999

24

metallic glass motivated by experiments: Glass formation and atomic-level structure [Phys. Rev. B 71 , 224208 (2005)]

Duan, Gang, Xu, Donghua, Zhang, Qing, Zhang, Guoyun, Cagin, Tahir, Johnson, William L., Goddard, William A.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 27 KB

english, 2006

25

Molecular Dynamics Simulations of Glass Formation and Crystallization in Binary Liquid Metals

Lee, Hyon Jee, Cagin, Tahir, Goddard III, William A., Johnson, William L.

Journal:

Journal of Metastable and Nanocrystalline Materials

Year:

2003

Language:

english

File:

PDF, 410 KB

english, 2003

26

Molecular dynamics modeling of stishovite

Sheng-Nian Luo, Tahir Çaǧin, Alejandro Strachan, William A. Goddard III, Thomas J. Ahrens

Journal:

Earth and Planetary Science Letters

Year:

2002

Language:

english

File:

PDF, 411 KB

english, 2002

27

Multiscale modeling and simulation methods with applications to dendritic polymers

Tahir Cagin, Guofeng Wang, Ryan Martin, Georgios Zamanakos, Nagarajan Vaidehi, Daniel T Mainz, William A Goddard III

Journal:

Computational and Theoretical Polymer Science

Year:

2001

Language:

english

File:

PDF, 1.15 MB

english, 2001

28

Criteria for formation of metallic glasses: The role of atomic size ratio

Lee, Hyon-Jee, Cagin, Tahir, Johnson, William L., Goddard, William A.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 826 KB

english, 2003

29

Reply to “Comment on ‘Phase diagram of MgO from density-functional theory and molecular- dynamics simulations’ ”

Strachan, Alejandro, Çağın, Tahir, Goddard, William A.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 18 KB

english, 2001

30

Molecular Dynamics Simulations of Piezoelectric Materials for Energy Harvesting Applications

Haskins, Justin B., Kinaci, Alper, Çağın, Tahir

Journal:

Materials Science Forum

Year:

2014

Language:

english

File:

PDF, 795 KB

english, 2014

31

Thermal transport properties of MoS 2 and MoSe 2 monolayers

Kandemir, Ali, Yapicioglu, Haluk, Kinaci, Alper, Çağın, Tahir, Sevik, Cem

Journal:

Year:

2016

Language:

english

File:

PDF, 754 KB

english, 2016

32

Mechanical Response of High Performance Polymers: Abpbo, Abpbi and Abpbt

Journal:

MRS Proceedings

Year:

1992

Language:

english

File:

PDF, 209 KB

english, 1992

33

Computational Materials Chemistry at the Nanoscale

Tahir Çağın, Jianwei Che, Yue Qi, Yanhua Zhou, Ersan Demiralp, Guanghua Gao, William A. Goddard

Journal:

Journal of Nanoparticle Research

Year:

1999

Language:

english

File:

PDF, 361 KB

english, 1999

34

Crack propagation in a Tantalum nano-slab

Alejandro Strachan, Tahir Çağin, William A. Goddard

Journal:

Scientific Modeling and Simulation SMNS

Year:

2001

Language:

english

File:

PDF, 393 KB

english, 2001

35

Influence of disorder on thermal transport properties of boron nitride nanostructures

Sevik, Cem, Kinaci, Alper, Haskins, Justin B., Çağın, Tahir

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 531 KB

english, 2012

36

Phonon Engineering in Carbon Nanotubes by Controlling Defect Concentration

Sevik, Cem, Sevinçli, Hâldun, Cuniberti, Gianaurelio, Çağın, Tahir

Journal:

Year:

2011

Language:

english

File:

PDF, 906 KB

english, 2011

37

Fundamental treatment of molecular-dynamics ensembles

Çagin, Tahir, Ray, John R.

Journal:

Physical Review A

Year:

1988

Language:

english

File:

PDF, 552 KB

english, 1988

38

interfaces

Zhang, Qing, Qi, Yue, Hector, Louis G., Çağın, Tahir, Goddard, William A.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 884 KB

english, 2005

39

Mechanisms of Nonexponential Relaxation in Supercooled Glucose Solutions: the Role of Water Facilitation

Molinero, Valeria, Çaǧın, Tahir, Goddard, William A.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 344 KB

english, 2004

40

Friction anisotropy at Ni(100)/(100) interfaces: Molecular dynamics studies

Qi, Yue, Cheng, Yang-Tse, Çağin, Tahir, Goddard, William A.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 802 KB

english, 2002

41

Calculation of Mechanical, Thermodynamic and Transport Properties of Metallic Glass Formers

Çağin, Tahir, Kimura, Yoshitaka, Qi, Yue, Li, Hao, Ikeda, Hideyuki, Johnsonb, William L., Goddard, William A.

Journal:

MRS Proceedings

Year:

1998

Language:

english

File:

PDF, 361 KB

english, 1998

42

Effect of Solvent and pH on the Structure of PAMAM Dendrimers

Maiti, Prabal K., Çaǧın, Tahir, Lin, Shiang-Tai, Goddard, William A.

Journal:

Year:

2005

Language:

english

File:

PDF, 742 KB

english, 2005

43

The MS-Q Force Field for Clay Minerals: Application to Oil Production

Hwang, Sungu, Blanco, Mario, Demiralp, Ersan, Cagin, Tahir, Goddard, William A.

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 186 KB

english, 2001

44

Thermal conductivity of BN-C nanostructures

Kınacı, Alper, Haskins, Justin B., Sevik, Cem, Çağın, Tahir

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.24 MB

english, 2012

45

Application of the Self-Assembled Monolayer (SAM) Model to Dithiophosphate and Dithiocarbamate Engine Wear Inhibitors

Zhou, Yanhua, Jiang, Shaoyi, Çaǧın, Tahir, Yamaguchi, Elaine S., Frazier, Rawls, Ho, Andrew, Tang, Yongchun, Goddard, William A.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 2.43 MB

english, 2000

46

Thermal conductivity of carbon nanotubes

Che, Jianwei, Çagin, Tahir, Goddard, William A

Journal:

Year:

2000

Language:

english

File:

PDF, 133 KB

english, 2000

47

Molecular dynamics simulations of thermal resistance at the liquid-solid interface

Kim, Bo Hung, Beskok, Ali, Cagin, Tahir

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 958 KB

english, 2008

48

The SAM Model for Wear Inhibitor Performance of Dithiophosphates on Iron Oxide

Jiang, Shaoyi, Frazier, Rawls, Yamaguchi, Elaine S., Blanco, Mario, Dasgupta, Siddharth, Zhou, Yanhua, Cagin, Tahir, Tang, Yongchun, Goddard, William A.

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 271 KB

english, 1997

49

[ASME STLE/ASME 2006 International Joint Tribology Conference - San Antonio, Texas, USA (October 23–25, 2006)] Part B: Magnetic Storage Tribology; Manufacturing/Metalworking Tribology; Nanotribology; Engineered Surfaces; Biotribology; Emerging Technologies; Special Symposia on Contact Mechanics; Special Symposium on Nanotribology - The Structure and Sliding Friction of Diamond-Like Carbon Surfaces From Molecular Dynamics Simulations

Zhang, Qing, Van Duin, Adri C. T., Cagin, Tahir, Goddard, William A., Martin, J. M., De Barros-Bouchet, M. I., Le Mogne, T., Sagawa, Takumaru, Okuda, Sachiko

Year:

2006

Language:

english

File:

PDF, 658 KB

english, 2006

50

Conformation and Proton Configuration of Pyrimidine Deoxynucleoside Oxidation Damage Products in Water

La Francois, Christopher J., Jang, Yun Hee, Cagin, Tahir, Goddard, William A., Sowers, Lawrence C.

Journal:

Chemical Research in Toxicology

Year:

2000

Language:

english

File:

PDF, 248 KB

english, 2000

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