Thermal properties of graphene from path-integral simulations

Entropic effects of thermal rippling on van der Waals interactions between monolayer graphene and a rigid substrate

(2016) Peng Wang et al.   JOURNAL OF APPLIED PHYSICS

Quantum effects in graphene monolayers: Path-integral simulations

(2016) Carlos P. Herrero et al.   JOURNAL OF CHEMICAL PHYSICS

Structural, Vibrational, and Thermal Properties of Nanocrystalline Graphene in Atomistic Simulations

(2016) Konstanze R. Hahn et al.   Journal of Physical Chemistry C

Scaling Behavior and Strain Dependence of In-Plane Elastic Properties of Graphene

(2016) J. H. Los et al.   PHYSICAL REVIEW LETTERS

Monte Carlo study of the frame, fluctuation and internal tensions of fluctuating membranes with fixed area

(2016) Hayato Shiba et al.   Soft Matter

A computer simulation approach to quantify the true area and true area compressibility modulus of biological membranes

(2015) Enrique Chacón et al.   JOURNAL OF CHEMICAL PHYSICS

Theory of thermal expansion in 2D crystals

(2015) K. H. Michel et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Quantum effects in a free-standing graphene lattice: Path-integral against classical Monte Carlo simulations

(2015) B. G. A. Brito et al.   PHYSICAL REVIEW B

Evolution of thermal properties from graphene to graphite

(2014) A. Alofi et al.   APPLIED PHYSICS LETTERS

Anharmonic effects on thermodynamic properties of a graphene monolayer

(2014) A. L. C. da Silva et al.   EPL

Path-integral simulation of solids

(2014) C P Herrero et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Thermal expansion of free-standing graphene: benchmarking semi-empirical potentials

(2014) Y Magnin et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Thermomechanics of monolayer graphene: Rippling, thermal expansion and elasticity

(2014) Wei Gao et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Properties of discrete breathers in graphane fromab initiosimulations

(2014) G. M. Chechin et al.   PHYSICAL REVIEW B

Thermodynamics of quantum crystalline membranes

(2014) B. Amorim et al.   PHYSICAL REVIEW B

Elastic Properties and Stability of Physisorbed Graphene

(2014) Philippe Lambin   Applied Sciences-Basel

Graphene: Why buckling occurs?

(2013) Hui-Shen Shen et al.   APPLIED PHYSICS LETTERS

Formation and development of dislocation in graphene

(2013) Gun-Do Lee et al.   APPLIED PHYSICS LETTERS

Thermal fluctuations and bending rigidity of bilayer membranes

(2013) Pedro Tarazona et al.   JOURNAL OF CHEMICAL PHYSICS

Thermal conductivity of graphene and graphite

(2013) A. Alofi et al.   PHYSICAL REVIEW B

Measurement of the Electronic Thermal Conductance Channels and Heat Capacity of Graphene at Low Temperature

(2013) Kin Chung Fong et al.   Physical Review X

Elastic properties of a macroscopic graphene sample from phonon dispersion measurements

(2012) Antonio Politano et al.   CARBON

Chiral graphene nanoribbons: Objective molecular dynamics simulations and phase-transition modeling

(2012) E. Akatyeva et al.   JOURNAL OF CHEMICAL PHYSICS

Quasi-harmonic approximation of thermodynamic properties of ice Ih, II, and III

(2012) R. Ramírez et al.   JOURNAL OF CHEMICAL PHYSICS

Temperature dependent elastic constants and ultimate strength of graphene and graphyne

(2012) Tianjiao Shao et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanisms of Budding of Nanoscale Particles through Lipid Bilayers

(2012) Teresa Ruiz-Herrero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thermal properties of graphene: Fundamentals and applications

(2012) Eric Pop et al.   MRS BULLETIN

Density functional theory analysis of flexural modes, elastic constants, and corrugations in strained graphene

(2012) P. L. de Andres et al.   PHYSICAL REVIEW B

Bending modes, anharmonic effects, and thermal expansion coefficient in single-layer and multilayer graphene

(2012) P. L. de Andres et al.   PHYSICAL REVIEW B

Isotope effects in ice Ih: A path-integral simulation

(2011) Carlos P. Herrero et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: The dawning of the age of graphene

(2011) George W. Flynn   JOURNAL OF CHEMICAL PHYSICS

Negative Thermal Expansion Coefficient of Graphene Measured by Raman Spectroscopy

(2011) Duhee Yoon et al.   NANO LETTERS

Thermal properties of graphene and nanostructured carbon materials

(2011) Alexander A. Balandin   NATURE MATERIALS

Helium reflectivity and Debye temperature of graphene grown epitaxially on Ru(0001)

(2011) A. Politano et al.   PHYSICAL REVIEW B

Phonons of graphene and graphitic materials derived from the empirical potential LCBOPII

(2010) L.J. Karssemeijer et al.   SURFACE SCIENCE

Undulation Contributions to the Area Compressibility in Lipid Bilayer Simulations

(2009) Qaiser Waheed et al.   BIOPHYSICAL JOURNAL

Controlled ripple texturing of suspended graphene and ultrathin graphite membranes

(2009) Wenzhong Bao et al.   Nature Nanotechnology

Phonon thermal conduction in graphene: Role of Umklapp and edge roughness scattering

(2009) D. L. Nika et al.   PHYSICAL REVIEW B

Vibrational properties and diffusion of hydrogen on graphene

(2009) Carlos P. Herrero et al.   PHYSICAL REVIEW B

Thermal expansion in single-walled carbon nanotubes and graphene: Nonequilibrium Green’s function approach

(2009) Jin-Wu Jiang et al.   PHYSICAL REVIEW B

Singular behavior of the Debye-Waller factor of graphene

(2009) V. K. Tewary et al.   PHYSICAL REVIEW B

Finite Temperature Lattice Properties of Graphene beyond the Quasiharmonic Approximation

(2009) K. V. Zakharchenko et al.   PHYSICAL REVIEW LETTERS

Nonlinear Elasticity of Monolayer Graphene

(2009) Emiliano Cadelano et al.   PHYSICAL REVIEW LETTERS

The electronic properties of graphene

(2009) A. H. Castro Neto et al.   REVIEWS OF MODERN PHYSICS

Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits

(2008) S. Ghosh et al.   APPLIED PHYSICS LETTERS

Electronic processes in fast thermite chemical reactions: A first-principles molecular dynamics study

(2008) Fuyuki Shimojo et al.   PHYSICAL REVIEW E

Direct Calculation from the Stress Tensor of the Lateral Surface Tension of Fluctuating Fluid Membranes

(2008) Jean-Baptiste Fournier et al.   PHYSICAL REVIEW LETTERS

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE