Negative In‐Plane Poisson's Ratio for Single Layer Black Phosphorus: An Atomistic Simulation Study

Ho, Duc Tam; Ho, Viet Hung; Park, Harold S.; Kim, Sung Youb

doi:10.1002/pssb.201700285

Cited by 16 publications

(19 citation statements)

References 61 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The ability of auxetics to increase (decrease) their transverse dimensions during stretching (compression) in lateral direction is the main feature that distinguish them from conventional materials. The possibilities of practical applications of auxetics are what stimulates an intense research on this class of materials . New materials are examined whether they exhibit negative Poisson's ratio and novel auxetic composites are created.…”

Section: Introductionmentioning

confidence: 99%

Auxetic Properties of a f.c.c. Crystal of Hard Spheres with an Array of [001]‐Nanochannels Filled by Hard Spheres of Another Diameter

Narojczyk

Wojciechowski

Tretiakov

et al. 2018

Physica Status Solidi (b)

View full text Add to dashboard Cite

Preliminary results on the influence of periodically distributed cylindrical nanoinclusions introduced into the f.c.c. hard sphere crystal on its elastic properties and the Poisson's ratio are presented. The nanoinclusions are oriented along the [001]-direction and filled with hard spheres of diameter different from the spheres forming the matrix crystal. The Monte Carlo simulations show that symmetry of the crystal changes from the cubic to tetragonal one. In the case when spheres inside the inclusion are smaller than spheres forming the crystal, the changes of Poisson's ratio are qualitatively similar to the changes observed earlier in the Yukawa sphere crystal, that is, the introduction of nanochannels causes simultaneous decrease of the Poisson's ratio in the [110][1 10]-direction, and its increase in [110][001]-direction. Filling the nanochannel with spheres having diameters greater than that of the spheres in the crystalline matrix, causes a decrease of the Poisson's ratio value from 0.065 down to À0.365 in [111][11 2]-direction. The dependence of the minimal Poisson's ratio on the direction of the applied load is shown in a form of surfaces in spherical coordinates, for selected values of nanochannel particle diameters. The most negative value of the Poisson's ratio found amongst all systems studied was as low as À0.873.

show abstract

Section: Introductionmentioning

confidence: 99%

Auxetic Properties of a f.c.c. Crystal of Hard Spheres with an Array of [001]‐Nanochannels Filled by Hard Spheres of Another Diameter

Narojczyk

Wojciechowski

Tretiakov

et al. 2018

Physica Status Solidi (b)

View full text Add to dashboard Cite

show abstract

“…In recent years, negative Poisson's ratio effect has also been reported in several monolayer 2D materials. It is known that the out-of-plane and in-plane negative Poisson's ratios have been discovered in different black phosphorus [31][32][33][34]. The in-plane negative Poisson's ratio was also theoretically predicted in borophene [35], prismanes [36], transition metal dichalcogenides [37], and some not-yet-synthesized materials (e.g., penta-graphene) [38].…”

Section: Introductionmentioning

confidence: 88%

Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson’s Ratio

Yuan

Liu

et al. 2019

Journal of Nanomaterials

View full text Add to dashboard Cite

The intrinsic negative Poisson's ratio effect in 2-dimensional nanomaterials have attracted a lot of research interests due to its superior mechanical properties, and new mechanisms have emerged in the nanoscale. In this paper, we designed a novel graphyne-like two-dimensional carbon nanostructure with a "butterfly" shape (GL-2D-1) and its configuration isomer with a "herring-bone" form (GL-2D-2) by means of density functional theoretical calculation and predicted their in-plane negative Poisson's ratio effect and other mechanical properties. Both GL-2D-1 and GL-2D-2 present a significant negative Poisson's ratio effect under different specific strains conditions. By contrast, GL-2D-2 presents a much stronger negative Poisson's ratio effect and mechanical stability than does GL-2D-1. It is hoped that this work could be a useful structural design strategy for the development of the 2D carbon nanostructure with the intrinsic negative Poisson's ratio.

show abstract

“…[17] Simple theoretical models play an important role in searching for systems having auxetic properties and understanding mechanisms leading to them. Several models of molecular systems, [3,7,13,[18][19][20][21][22][23][24] as well as various models of structures at different scales, [25][26][27][28][29][30][31][32][33][34][35][36][37][38][39][40] were studied.…”

Section: Introductionmentioning

confidence: 99%

The Influence of the Soft Yukawa Potential and Hard Core Interactions on Auxeticity of the Face Centered Cubic Crystal of Hard‐Core Repulsive Yukawa Particles

Tretiakov

Wojciechowski

2020

Physica Status Solidi (b)

View full text Add to dashboard Cite

Elastic properties and Poisson's ratio of the face centered cubic (fcc) phases of three systems of particles which interact, respectively, through: 1) hard sphere potential (HSP), 2) repulsive Yukawa potential (RYP), and 3) hard-core repulsive Yukawa potential (HCRYP), studied by Monte Carlo (MC) simulations in the NpT ensemble, are compared in a broad range of pressures between melting and close packing. Partial auxeticity is observed in each of the considered systems and the role of the RYP and HSP, incorporated in HCRYP, is revealed. This study confirms intuitive expectations that the elastic properties of the system with particles interacting through HCRYP at high pressures are well approximated by hard spheres, whereas in the low pressures regime they are close to those obtained for the system with pure Yukawa interactions. It is also demonstrated that in the "transition region", when the HCRYP system is neither close to RYP nor to HSP system, its Poisson's ratio in the directions [110][110] exceeds the ranges given by RYP and HSP for those directions.

show abstract

Negative In‐Plane Poisson's Ratio for Single Layer Black Phosphorus: An Atomistic Simulation Study

Cited by 16 publications

References 61 publications

Auxetic Properties of a f.c.c. Crystal of Hard Spheres with an Array of [001]‐Nanochannels Filled by Hard Spheres of Another Diameter

Auxetic Properties of a f.c.c. Crystal of Hard Spheres with an Array of [001]‐Nanochannels Filled by Hard Spheres of Another Diameter

Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson’s Ratio

The Influence of the Soft Yukawa Potential and Hard Core Interactions on Auxeticity of the Face Centered Cubic Crystal of Hard‐Core Repulsive Yukawa Particles

Contact Info

Product

Resources

About