The Effect of VMoS3 Point Defect on the Elastic Properties of Monolayer MoS2 with REBO Potentials

The variation of elastic constants stiffness coefficients with respect to different percentage ratios of defects in monolayer molybdenum disulfide (MLMoS2) is reported for a particular set of atomistic nanostructural characteristics. The common method suggested is to use conventional defects such as single vacancy or di vacancy, and the recent studies use stone-walled multiple defects for highlighting the differences in the mechanical and electronic properties of 2D materials. Modeling the size influence of monolayer MoS2 by generating defects which are randomly distributed for a different percentage from 0% to 25% is considered in the paper. In this work, the geometry of the monolayer MoS2 defects modeled as randomized over the domain are taken into account. For simulation, the molecular static method is adopted and study the effect of elastic stiffness parameters of the 2D MoS2 material. Our findings reveals that the expansion of defects concentration leads to a decrease in the elastic properties, the sheer decrease in the elastic properties is found at 25%. We also study the diffusion of Molybdenum (Mo) in Sulphur (S) layers of atoms within MoS2 with Mo antisite defects. The elastic constants dwindle in the case of antisite defects too, but when compared to pure defects, the reduction was to a smaller extent in monolayer MoS2. Nevertheless, the Mo diffusion in sulfur gets to be more and more isotropic with the increase in the defect concentrations and elastic stiffness decreases with antisite defects concentration up to 25%. The distribution of antisite defects plays a vital role in modulating Mo diffusion in sulfur. These results will be helpful and give insights in the design of 2D materials.

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Effect of intrinsic point-defect complex on elastic properties of γ′-Ni3Al phases

Materials Research Express ◽

10.1088/2053-1591/ac07e7 ◽

2021 ◽

Author(s):

Yi Chen ◽

Yong He Deng ◽

Shuang Chen ◽

Hai Jun Luo ◽

Ya Jun Luo ◽

...

Keyword(s):

Point Defect ◽

Elastic Properties ◽

Defect Complex ◽

Intrinsic Point Defect

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Electron Microscopy and image reconstruction reveal the structural basis for spectrin's elastic properties

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100122952 ◽

1992 ◽

Vol 50 (1) ◽

pp. 510-511

Author(s):

Amy M. McGough ◽

Robert Josephs

Keyword(s):

Electron Microscopy ◽

Elastic Properties ◽

Conformational Changes ◽

Quaternary Structure ◽

Three Dimensional ◽

Membrane Skeleton ◽

Projection Algorithm ◽

Structural Basis ◽

Iterative Approximation ◽

Membrane Skeletons

The remarkable deformability of the erythrocyte derives in large part from the elastic properties of spectrin, the major component of the membrane skeleton. It is generally accepted that spectrin's elasticity arises from marked conformational changes which include variations in its overall length (1). In this work the structure of spectrin in partially expanded membrane skeletons was studied by electron microscopy to determine the molecular basis for spectrin's elastic properties. Spectrin molecules were analysed with respect to three features: length, conformation, and quaternary structure. The results of these studies lead to a model of how spectrin mediates the elastic deformation of the erythrocyte.Membrane skeletons were isolated from erythrocyte membrane ghosts, negatively stained, and examined by transmission electron microscopy (2). Particle lengths and end-to-end distances were measured from enlarged prints using the computer program MACMEASURE. Spectrin conformation (straightness) was assessed by calculating the particles’ correlation length by iterative approximation (3). Digitised spectrin images were correlation averaged or Fourier filtered to improve their signal-to-noise ratios. Three-dimensional reconstructions were performed using a suite of programs which were based on the filtered back-projection algorithm and executed on a cluster of Microvax 3200 workstations (4).

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Detection of a point defect in a silicon single crystal by high-resolution TEM

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100138701 ◽

1995 ◽

Vol 53 ◽

pp. 466-467

Author(s):

M. Awaji

Keyword(s):

High Resolution ◽

Single Crystal ◽

Point Defect ◽

Point Defects ◽

Noise Level ◽

Dark Field ◽

Silicon Single Crystal ◽

High Resolution Image ◽

Dark Field Imaging ◽

Field Imaging

It is necessary to improve the resolution, brightness and signal-to-noise ratio(s/n) for the detection and identification of point defects in crystals. In order to observe point defects, multi-beam dark-field imaging is one of the useful methods. Though this method can improve resolution and brightness compared with dark-field imaging by diffuse scattering, the problem of s/n still exists. In order to improve the exposure time due to the low intensity of the dark-field image and the low resolution, we discuss in this paper the bright-field high-resolution image and the corresponding subtracted image with reference to a changing noise level, and examine the possibility for in-situ observation, identification and detection of the movement of a point defect produced in the early stage of damage process by high energy electron bombardment.The high-resolution image contrast of a silicon single crystal in the [10] orientation containing a triple divacancy cluster is calculated using the Cowley-Moodie dynamical theory and for a changing gaussian noise level. This divacancy model was deduced from experimental results obtained by electron spin resonance. The calculation condition was for the lMeV Berkeley ARM operated at 800KeV.

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Point Defect Absorption and Dislocation Loop Formation at Grain Boundaries in Hvem-Irradiated Zr and Its Alloys:1. Influence of Solute Addition

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s042482010011862x ◽

1985 ◽

Vol 43 ◽

pp. 350-351

Author(s):

R.A. Herring ◽

M. Griffiths ◽

M.H Loretto ◽

R.E. Smallman

Keyword(s):

Grain Boundary ◽

Grain Boundaries ◽

Point Defect ◽

Reactor Core ◽

Solute Concentration ◽

Nuclear Industry ◽

Dislocation Loops ◽

Loop Formation ◽

Component Material ◽

Impurity Interaction

Because Zr is used in the nuclear industry to sheath fuel and as structural component material within the reactor core, it is important to understand Zr's point defect properties. In the present work point defect-impurity interaction has been assessed by measuring the influence of grain boundaries on the width of the zone denuded of dislocation loops in a series of irradiated Zr alloys. Electropolished Zr and its alloys have been irradiated using an AEI EM7 HVEM at 1 MeV, ∼675 K and ∼10-6 torr vacuum pressure. During some HVEM irradiations it has been seen that there is a difference in the loop nucleation and growth behaviour adjacent to the grain boundary as compared with the mid-grain region. The width of the region influenced by the presence of the grain boundary should be a function of the irradiation temperature, dose rate, solute concentration and crystallographic orientation.

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The buckling of thin EM specimens

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100177386 ◽

1990 ◽

Vol 48 (4) ◽

pp. 850-851

Author(s):

A.R. Thölén

Keyword(s):

Electron Microscope ◽

Elastic Properties ◽

Crystal Surface ◽

Specimen Surface ◽

Radius Of Curvature ◽

Thin Foils ◽

Thin Electron ◽

Regular Patterns

Thin electron microscope specimens often contain irregular bend contours (Figs. 1-3). Very regular bend patterns have, however, been observed around holes in some ion-milled specimens. The purpose of this investigation is twofold. Firstly, to find the geometry of bent specimens and the elastic properties of extremely thin foils and secondly, to obtain more information about the background to the observed regular patterns.The specimen surface is described by z = f(x,y,p), where p is a parameter, eg. the radius of curvature of a sphere. The beam is entering along the z—direction, which coincides with the foil normal, FN, of the undisturbed crystal surface (z = 0). We have here used FN = [001]. Furthermore some low indexed reflections are chosen around the pole FN and in our fcc crystal the following g-vectors are selected:

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On the interpretation of dislocation-loop growth during in-situ high-voltage Electron Microscopy

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s042482010017579x ◽

1990 ◽

Vol 48 (4) ◽

pp. 532-533

Author(s):

E. Holzäpfel ◽

F. Phillipp ◽

M. Wilkens

Keyword(s):

Point Defect ◽

Rate Equations ◽

Rate Theory ◽

Dislocation Loops ◽

High Voltage Electron Microscopy ◽

Vacancy Migration ◽

Voltage Electron ◽

Reaction Rate Theory ◽

Defect Reactions

During in-situ radiation damage experiments aiming on the investigation of vacancy-migration properties interstitial-type dislocation loops are used as probes monitoring the development of the point defect concentrations. The temperature dependence of the loop-growth rate v is analyzed in terms of reaction-rate theory yielding information on the vacancy migration enthalpy. The relation between v and the point-defect production rate P provides a critical test of such a treatment since it is sensitive to the defect reactions which are dominant. If mutual recombination of vacancies and interstitials is the dominant reaction, vαP0.5 holds. If, however, annihilation of the defects at unsaturable sinks determines the concentrations, a linear relationship vαP is expected.Detailed studies in pure bcc-metals yielded vαPx with 0.7≾×≾1.0 showing that besides recombination of vacancies and interstitials annihilation at sinks plays an important role in the concentration development which has properly to be incorporated into the rate equations.

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