Zybin, Sergey V.: search on Z-Library

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1

Reactive Dynamics Study of Hypergolic Bipropellants: Monomethylhydrazine and Dinitrogen Tetroxide

Liu, Yi, Zybin, Sergey V., Guo, Jiaqi, van Duin, Adri C. T., Goddard, William A.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 2.98 MB

english, 2012

2

Predictions of structures and properties of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N) green energetic materials from DFT and ReaxFF molecular modeling

Naserifar, Saber, Zybin, Sergey V., Ye, Caichao, Goddard, William A

Journal:

Journal of Materials Chemistry A

Year:

2015

Language:

english

File:

PDF, 13.21 MB

english, 2015

3

Reaction mechanism from quantum molecular dynamics for the initial thermal decomposition of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N), promising green energetic materials

Ye, Cai-Chao, An, Qi, Cheng, Tao, Zybin, Sergey, Naserifar, Saber, Ju, Xue-Hai, Goddard III, William A.

Journal:

Journal of Materials Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.81 MB

english, 2015

4

Inhibition of Hotspot Formation in Polymer Bonded Explosives Using an Interface Matching Low Density Polymer Coating at the Polymer–Explosive Interface

An, Qi, Goddard, William A., Zybin, Sergey V., Luo, Sheng-Nian

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.11 MB

english, 2014

5

Initial Steps of Thermal Decomposition of Dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate Crystals from Quantum Mechanics

An, Qi, Liu, Wei-Guang, Goddard, William. A., Cheng, Tao, Zybin, Sergey V., Xiao, Hai

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.73 MB

english, 2014

6

Experimental and quantum mechanics investigations of early reactions of monomethylhydrazine with mixtures of NO2 and N2O4

Liu, Wei-Guang, Wang, Shiqing, Dasgupta, Siddharth, Thynell, Stefan T., Goddard, William A., Zybin, Sergey, Yetter, Richard A.

Journal:

Combustion and Flame

Year:

2013

Language:

english

File:

PDF, 1.51 MB

english, 2013

7

Prediction of the Chapman–Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics

Guo, Dezhou, Zybin, Sergey V., An, Qi, Goddard III, William A., Huang, Fenglei

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.81 MB

english, 2016

8

Initial Decomposition Reactions of Bicyclo-HMX [BCHMX or cis -1,3,4,6-Tetranitrooctahydroimidazo-[4,5- d ]imidazole] from Quantum Molecular Dynamics Simulations

Ye, Cai-Chao, An, Qi, Goddard, William A., Cheng, Tao, Zybin, Sergey, Ju, Xue-hai

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 969 KB

english, 2015

9

Decomposition of Condensed Phase Energetic Materials: Interplay between Uni- and Bimolecular Mechanisms

Furman, David, Kosloff, Ronnie, Dubnikova, Faina, Zybin, Sergey V., Goddard, William A., Rom, Naomi, Hirshberg, Barak, Zeiri, Yehuda

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 483 KB

english, 2014

10

The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics

Guo, Dezhou, An, Qi, Zybin, Sergey V., Goddard III, William A., Huang, Fenglei, Tang, Bin

Journal:

Journal of Materials Chemistry A

Year:

2015

Language:

english

File:

PDF, 4.12 MB

english, 2015

11

Predicted Detonation Properties at the Chapman-Jouguet State for Proposed Energetic Materials (MTO and MTO3N) from Combined ReaxFF and Quantum Mechanics Reactive Dynamics

Zhou, Tingting, Zybin, Sergey V., Goddard, William A, Cheng, Tao, Naserifar, Saber, Jaramillo-Botero, Andres, Huang, Feng-Lei

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 6.26 MB

english, 2018

12

Reactive Molecular Dynamics Simulations of Shock Through a Single Crystal of Pentaerythritol Tetranitrate

Budzien, Joanne, Thompson, Aidan P., Zybin, Sergey V.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 1.30 MB

english, 2009

13

Explanation of the Colossal Detonation Sensitivity of Silicon Pentaerythritol Tetranitrate (Si-PETN) Explosive

Liu, Wei-Guang, Zybin, Sergey V., Dasgupta, Siddharth, Klapötke, Thomas M., Goddard III, William A.

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 131 KB

english, 2009

14

First-Principles-Based Reaction Kinetics for Decomposition of Hot, Dense Liquid TNT from ReaxFF Multiscale Reactive Dynamics Simulations

Rom, Naomi, Hirshberg, Barak, Zeiri, Yehuda, Furman, David, Zybin, Sergey V., Goddard, William A., Kosloff, Ronnie

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 3.56 MB

english, 2013

15

Thermal Decomposition of Hydrazines from Reactive Dynamics Using the ReaxFF Reactive Force Field

Zhang, Luzheng, Duin, Adri C. T. van, Zybin, Sergey V., Goddard III, William A.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.93 MB

english, 2009

16

Reaction Mechanisms and Sensitivity for Silicon Nitrocarbamate and Related Systems from Quantum Mechanics Reaction Dynamics

Zhou, Tingting, Cheng, Tao, Zybin, Sergey V., Goddard, William A, Huang, Feng-Lei

Journal:

Journal of Materials Chemistry A

Year:

2018

Language:

english

File:

PDF, 4.38 MB

english, 2018

17

Ensemble-averaged molecular dynamics simulation of shock wave in Lennard-Jones crystals

Sergey V. Zybin

Journal:

Computer Physics Communications

Year:

1999

Language:

english

File:

PDF, 59 KB

english, 1999

18

Elucidation of the dynamics for hot-spot initiation at nonuniform interfaces of highly shocked materials

An, Qi, Zybin, Sergey V., Goddard, William A., Jaramillo-Botero, Andres, Blanco, Mario, Luo, Sheng-Nian

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 713 KB

english, 2011

19

Quantitative Model-Free Method for Aircraft Control System Failure Detection

Zybin, Eugene, Kosyanchuk, Vladislav, Karpenko, Sergey, Nikulchev, E.V., Korsun, O.N.

Journal:

MATEC Web of Conferences

Year:

2017

Language:

english

File:

PDF, 117 KB

english, 2017

20

Decolonial Praxis

An, Qi, Goddard, William A., Zybin, Sergey V., Luo, Sheng-Nian

Journal:

Qui Parle: Critical Humanities and Social Sciences

Year:

2010

Language:

english

File:

PDF, 219 KB

english, 2010

21

Anisotropic Impact Sensitivity and Shock Induced Plasticity of TKX-50 (Dihydroxylammonium 5,5′-bis(tetrazole)-1,1′-diolate) Single Crystals: From Large-Scale Molecular Dynamics Simulations

An, Qi, Cheng, Tao, Goddard, William A, Zybin, Sergey V.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.80 MB

english, 2015

22

Modeling High Rate Impact Sensitivity of Perfect RDX and HMX Crystals by ReaxFF Reactive Dynamics

Zhang, Luzheng, Zybin, Sergey V., Van Duin, Adri C. T., Goddard, William A.

Journal:

Journal of Energetic Materials

Year:

2010

Language:

english

File:

PDF, 1.88 MB

english, 2010

23

ReaxFF reactive molecular dynamics on silicon pentaerythritol tetranitrate crystal validates the mechanism for the colossal sensitivity

Zhou, Tingting, Liu, Lianchi, Goddard III, William A., Zybin, Sergey V., Huang, Fenglei

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.02 MB

english, 2014

24

Initial decomposition reaction of di-tetrazine-tetroxide (DTTO) from quantum molecular dynamics: implications for a promising energetic material

Ye, Cai-Chao, An, Qi, Goddard III, William A., Cheng, Tao, Liu, Wei-Guang, Zybin, Sergey V., Ju, Xue-Hai

Journal:

Journal of Materials Chemistry A

Year:

2015

Language:

english

File:

PDF, 947 KB

english, 2015

25

Enhancing the Detonation Properties of Liquid Nitromethane by Adding Nitro-Rich Molecule Nitryl Cyanide

Guo, Dezhou, Zybin, Sergey V., Goddard, William A., An, Qi

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 685 KB

2020

26

Atomistic Characterization of Stochastic Cavitation of a Binary Metallic Liquid under Negative Pressure

An, Qi, Garrett, Glenn, Samwer, Konrad, Liu, Yi, Zybin, Sergey V., Luo, Sheng-Nian, Demetriou, Marios D., Johnson, William L., Goddard, William A.

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 1.34 MB

english, 2011

27

Compressive Shear Reactive Molecular Dynamics Studies Indicating That Cocrystals of TNT/CL-20 Decrease Sensitivity

Guo, Dezhou, An, Qi, Goddard, William A., Zybin, Sergey V., Huang, Fenglei

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 492 KB

english, 2014

28

A parametric transformation at numerical integration of ODE

Sergey V. Zybin

Journal:

Applied Mathematics Letters

Year:

1991

Language:

english

File:

PDF, 345 KB

english, 1991

29

Anisotropic shock sensitivity for β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine energetic material under compressive-shear loading from ReaxFF-lg reactive dynamics simulations

Zhou, Tingting, Zybin, Sergey V., Liu, Yi, Huang, Fenglei, Goddard, William A.

Journal:

Journal of Applied Physics

Year:

2012

Language:

english

File:

PDF, 3.45 MB

english, 2012

30

The Interface Structure in Li-Metal/[Pyr14][TFSI]-Ionic Liquid System from Ab Initio Molecular Dynamics Simulations

Merinov, Boris V., Zybin, Sergey V., Naserifar, Saber, Morozov, Sergey I, Oppenheim, Julius Jacob, Goddard, William A., Lee, Jinuk, Lee, Jae Hyun, Han, Hyea Eun, Choi, Young Cheol, Kim, Seung Ha

Journal:

The Journal of Physical Chemistry Letters

Year:

2019

File:

PDF, 1.26 MB

2019

31

Highly Shocked Polymer Bonded Explosives at a Nonplanar Interface: Hot-Spot Formation Leading to Detonation

An, Qi, Goddard, William A., Zybin, Sergey V., Jaramillo-Botero, Andres, Zhou, Tingting

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.77 MB

english, 2013

32

Carbon Cluster Formation during Thermal Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-Triamino-2,4,6-trinitrobenzene High Explosives from ReaxFF Reactive Molecular Dynamics Simulations

Zhang, Luzheng, Zybin, Sergey V., van Duin, Adri C. T., Dasgupta, Siddharth, Goddard, William A., Kober, Edward M.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 13.79 MB

english, 2009

33

[IEEE 2009 DoD High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC) - San Diego, CA, USA (2009.06.15-2009.06.18)] 2009 DoD High Performance Computing Modernization Program Users Group Conference - Reactive Molecular Dynamics of Shock- and Shear-Induced Chemistry in Energetic Materials for Future Force Insensitive Munitions

Zybin, Sergey V., Goddard III, William A., Xu, Peng, Budzien, Joanne, Thompson, Aidan

Year:

2009

Language:

english

File:

PDF, 1.31 MB

english, 2009

34

[IEEE 2010 DoD High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC) - Schaumburg, IL, USA (2010.06.14-2010.06.17)] 2010 DoD High Performance Computing Modernization Program Users Group Conference - ReaxFF Reactive Molecular Dynamics: Coupling Mechanical Impact to Chemical Initiation in Energetic Materials

Zybin, Sergey V., Xu, Peng, An, Qi, Goddard III, William A.

Year:

2010

Language:

english

File:

PDF, 1000 KB

english, 2010

35

Molecular dynamics simulations of weak detonations

Am-Shallem, Morag, Zeiri, Yehuda, Zybin, Sergey V., Kosloff, Ronnie

Journal:

Physical Review E

Year:

2011

Language:

english

File:

PDF, 1.28 MB

english, 2011

36

Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF

Rom, Naomi, Zybin, Sergey V., van Duin, Adri C. T., Goddard, William A., Zeiri, Yehuda, Katz, Gil, Kosloff, Ronnie

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 15.74 MB

english, 2011

37

[IEEE 2015 7th International Congress on Ultra Modern Telecommunications and Control Systems and Workshops (ICUMT) - Brno, Czech Republic (2015.10.6-2015.10.8)] 2015 7th International Congress on Ultra Modern Telecommunications and Control Systems and Workshops (ICUMT) - Wireless authentication using OPACITY protocol

Petrov, Vitaly, Bezzateev, Sergey, Zybin, Vladimir

Year:

2015

Language:

english

File:

PDF, 2.67 MB

english, 2015

38

First Principles Study of the Ignition Mechanism for Hypergolic Bipropellants: N , N , N ′, N ′-Tetramethylethylenediamine (TMEDA) and N , N , N ′, N ′-Tetramethylmethylenediamine (TMMDA) with Nitric Acid

Liu, Wei-Guang, Dasgupta, Siddharth, Zybin, Sergey V., Goddard, William A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.68 MB

english, 2011

39

Anisotropic Shock Sensitivity of Cyclotrimethylene Trinitramine (RDX) from Compress-and-Shear Reactive Dynamics

An, Qi, Liu, Yi, Zybin, Sergey V., Kim, Hyungjun, Goddard, William A.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 3.55 MB

english, 2012

40

Shear stresses in shock-compressed diamond from density functional theory

Oleynik, Ivan I., Landerville, Aaron C., Zybin, Sergey V., Elert, Mark L., White, Carter T.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 219 KB

english, 2008

41

ReaxFF- l g: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

Liu, Lianchi, Liu, Yi, Zybin, Sergey V., Sun, Huai, Goddard, William A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 982 KB

english, 2011

42

Physical mechanism of anisotropic sensitivity in pentaerythritol tetranitrate from compressive-shear reaction dynamics simulations

Zybin, Sergey V., Goddard, William A., Xu, Peng, van Duin, Adri C. T., Thompson, Aidan P.

Journal:

Applied Physics Letters

Year:

2010

Language:

english

File:

PDF, 474 KB

english, 2010

43

Prediction of the crystal packing of di-tetrazine-tetroxide (DTTO) energetic material

Mendoza-Cortes, Jose L., An, Qi, Goddard, William A., Ye, Caichao, Zybin, Sergey

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 518 KB

english, 2015

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