Atomistic modeling of tensile deformation and fracture of carbon fibers: Nanoscales stress redistribution, effect of local structural characteristics and nanovoids

Microstructural exploration of a carbon nanotube yarn reinforced composite using a peridynamic approach

(2022) Forrest Baber et al.   JOURNAL OF COMPOSITE MATERIALS

Investigation of microscale fracture mechanisms in glass–ceramics using peridynamics simulations

(2022) Naveen Prakash et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Pressure-Strengthened Carbon Fibers from Mesophase Pitch Carbonization Processes

(2022) Yanzhuo Wei et al.   Journal of Physical Chemistry Letters

Carbon fibers derived from commodity polymers: A review

(2022) Kenneth R. Brown et al.   CARBON

Kinetics of laser-induced melting of thin gold film: How slow can it get?

(2022) Mikhail I. Arefev et al.   Science Advances

Rapid In Situ Polymerization of Polyacrylonitrile/Graphene Oxide Nanocomposites as Precursors for High-Strength Carbon Nanofibers

(2021) Ye Zhang et al.   ACS Applied Materials & Interfaces

Carbon fiber synthesis from pitch: Insights from ReaxFF based molecular dynamics simulations

(2021) Cuiying Jian et al.   CARBON

Nanostructure quantification of turbostratic carbon by HRTEM image analysis: State of the art, biases, sensitivity and best practices

(2021) Pal Toth   CARBON

Computational study of the effect of core–skin structure on the mechanical properties of carbon nanofibers

(2021) Miao He et al.   JOURNAL OF MATERIALS SCIENCE

Strategies for the production of PAN-Based carbon fibers with high tensile strength

(2021) Dawon Jang et al.   CARBON

Graphene reinforced carbon fibers

(2020) Zan Gao et al.   Science Advances

St. Petersburg Paradox and Failure Probability

(2020) Jake Fontana et al.   PHYSICAL REVIEW LETTERS

Manufacturing carbon fibres from pitch and polyethylene blend precursors: a review

(2020) Salem Mohammed Aldosari et al.   Journal of Materials Research and Technology-JMR&T

Generation and characterization of an improved carbon fiber model by molecular dynamics

(2020) Linyuan Shi et al.   CARBON

Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force Field

(2019) Malgorzata Kowalik et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Unveiling Carbon Ring Structure Formation Mechanisms in Polyacrylonitrile-Derived Carbon Fibers

(2019) Jiadeng Zhu et al.   ACS Applied Materials & Interfaces

Generation and characterization of carbon fiber microstructures by atomistic simulations

(2019) Kaushik Joshi et al.   CARBON

Microstructure and properties of polyacrylonitrile based carbon fibers

(2019) Junshan Lu et al.   POLYMER TESTING

Predicting cost-effective carbon fiber precursors: Unraveling the functionalities of oxygen and nitrogen-containing groups during carbonization from ReaxFF simulations

(2019) Qian Mao et al.   CARBON

Non-intertwined graphitic domains in nanoscale leads to super strong and tough continuous 1D nanostructures

(2018) Jizhe Cai et al.   CARBON

Disclination ensembles in graphene

(2018) M. A. Rozhkov et al.   LOW TEMPERATURE PHYSICS

Fabrication of low-cost carbon fibers using economical precursors and advanced processing technologies

(2018) Dalsu Choi et al.   CARBON

Analyses of oxidation process for isotropic pitch-based carbon fibers using model compounds

(2018) Takahiro Senda et al.   CARBON

Molecular modeling of the microstructure evolution during carbon fiber processing

(2017) Saaketh Desai et al.   JOURNAL OF CHEMICAL PHYSICS

Stress concentrations around voids in three dimensions: The roots of failure

(2017) T. Davis et al.   JOURNAL OF STRUCTURAL GEOLOGY

Carbonization with Misfusion: Fundamental Limits of Carbon-Fiber Strength Revisited

(2016) Nitant Gupta et al.   ADVANCED MATERIALS

Structure-property model for polyethylene-derived carbon fiber

(2016) Michael J. Behr et al.   CARBON

Tensile failure phenomena in carbon fibres

(2016) Haruki Okuda et al.   CARBON

High performance carbon fibers from very high molecular weight polyacrylonitrile precursors

(2016) E. Ashley Morris et al.   CARBON

Processing, structure, and properties of carbon fibers

(2016) Bradley A. Newcomb   COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING

Multi-step mechanism of carbonization in templated polyacrylonitrile derived fibers: ReaxFF model uncovers origins of graphite alignment

(2015) Biswajit Saha et al.   CARBON

Basic structural units in carbon fibers: Atomistic models and tensile behavior

(2015) Evgeni S. Penev et al.   CARBON

High strength and high modulus carbon fibers

(2015) Han Gi Chae et al.   CARBON

Fracture of graphene: a review

(2015) Teng Zhang et al.   INTERNATIONAL JOURNAL OF FRACTURE

The effect of time step, thermostat, and strain rate on ReaxFF simulations of mechanical failure in diamond, graphene, and carbon nanotube

(2015) Benjamin D. Jensen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Simulation of the Elastic and Ultimate Tensile Properties of Diamond, Graphene, Carbon Nanotubes, and Amorphous Carbon Using a Revised ReaxFF Parametrization

(2015) Benjamin D. Jensen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development of a ReaxFF Potential for Carbon Condensed Phases and Its Application to the Thermal Fragmentation of a Large Fullerene

(2015) Sriram Goverapet Srinivasan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Carbon Fibers: Precursor Systems, Processing, Structure, and Properties

(2014) Erik Frank et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nanoscale dynamic mechanical imaging of the skin–core difference: From PAN precursors to carbon fibers

(2014) Xiaofang Liu et al.   MATERIALS LETTERS

Molecular dynamics simulation on double-elastic deformation of zigzag graphene nanoribbons at low temperature

(2013) Y.J. Sun et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Computational aspects of many-body potentials

(2012) Steven J. Plimpton et al.   MRS BULLETIN

A small-angle X-ray scattering study and molecular dynamics simulation of microvoid evolution during the tensile deformation of carbon fibers

(2011) Caizhen Zhu et al.   CARBON

Structural heterogeneity and stress distribution in carbon fiber monofilament as revealed by synchrotron micro-beam X-ray scattering and micro-Raman spectral measurements

(2010) Takayuki Kobayashi et al.   CARBON

Strong carbon nanofibers from electrospun polyacrylonitrile

(2010) Salman N. Arshad et al.   CARBON

Turbostratic graphite nanofibres from electrospun solutions of PAN in dimethylsulphoxide

(2010) Zeynep Kurban et al.   EUROPEAN POLYMER JOURNAL

Topological defects in graphene: Dislocations and grain boundaries

(2010) Oleg V. Yazyev et al.   PHYSICAL REVIEW B

General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions

(2009) Aidan P. Thompson et al.   JOURNAL OF CHEMICAL PHYSICS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Size and Chirality Dependent Elastic Properties of Graphene Nanoribbons under Uniaxial Tension

(2009) H. Zhao et al.   NANO LETTERS

Anisotropic mechanical properties of graphene sheets from molecular dynamics

(2009) Zhonghua Ni et al.   PHYSICA B-CONDENSED MATTER

Continuous Nanoscale Carbon Fibers with Superior Mechanical Strength

(2009) Jie Liu et al.   Small

Fabrication and Properties of Carbon Fibers

(2009) Xiaosong Huang   Materials

Carbon nanotube reinforced small diameter polyacrylonitrile based carbon fiber

(2008) Han Gi Chae et al.   COMPOSITES SCIENCE AND TECHNOLOGY

Effect of microstructure on the mechanical properties of PAN-based carbon fibers during high-temperature graphitization

(2008) Fujie Liu et al.   JOURNAL OF MATERIALS SCIENCE