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Electron irradiation-induced damage is often the limiting factor in imaging materials prone to ionization or electronic excitations due to inelastic electron scattering. Quantifying the related processes at the atomic scale has only become…

We present a computational study on the impact of line defects on the electronic properties of monolayer MoS2. Four different kinds of line defects with Mo and S as the bridging atoms, consistent with recent theoretical and experimental…

Materials Science · Physics 2015-02-13 Amretashis Sengupta , Dipankar Saha , Thomas A. Niehaus , Santanu Mahapatra

One of the most promising applications in nanoscience is the design of new materials to improve water permeability and selectivity of nanoporous membranes. Understanding the molecular architecture behind these fascinating structures and how…

Soft Condensed Matter · Physics 2021-09-10 João P. K. Abal , Rodrigo F. Dillenburg , Mateus H. Köhler , Marcia C. Barbosa

Transition metal dichalcogenides (TMDs), particularly monolayer MoS2, have received increased attention in materials science and have been exploited in diverse applications from photonics to catalysis. Defects in TMDs play a crucial role in…

Making use of the Griffith criticality condition recently introduced by Shrimali and Lopez-Pamies (Extreme Mechanics Letters 58: 101944, 2023), this work presents a comprehensive analysis of the single edge notch fracture test for…

Soft Condensed Matter · Physics 2026-01-12 Farhad Kamarei , Fabio Sozio , Oscar Lopez-Pamies

Analytical models have been developed for fracture propagation over the last several decades and are now considered with renewed interest; the range of their applicability varies for different materials and different loading conditions.…

Materials Science · Physics 2015-09-22 D. Misseroni , A. B. Movchan , N. V. Movchan , D. Bigoni

The fundamental problem of friction in the presence of macroscopic adhesion, as in soft bodies, is receiving interest from many experimentalists. Since the first fracture mechanics `purely brittle' model of Savkoor and Briggs, models have…

Soft Condensed Matter · Physics 2018-11-14 A. Papangelo , M. Ciavarella

The regeneration of oral and craniofacial bone defects ranging from minor periodontal and peri-implant defects to large and critical lesions imposes a substantial global health burden. Conventional therapies are associated with several…

Sliding ferroelectrics built from stacked nonpolar monolayers enable out-of-plane polarization and unconventional switching via interlayer sliding, yet the microscopic sliding dynamics remain unclear. Using machine-learning molecular…

Materials Science · Physics 2026-04-23 Jia-Wen Li , Sheng Meng , Xinghua Shi , Jin Zhang , Wei-Hai Fang

Accurate prediction of fracture toughness under complex loading conditions, like mixed mode I/II, is essential for reliable failure assessment. This paper aims to develop a machine learning framework for predicting fracture toughness and…

Computational Physics · Physics 2025-03-04 Amir Mohammad Mirzaei

Bone adapts in response to its mechanical environment. This evolution of bone density is one of the most important mechanisms for developing fracture resistance. A finite element framework for simulating bone adaptation, commonly called…

Computational Engineering, Finance, and Science · Computer Science 2020-01-06 Karol Lewandowski , Łukasz Kaczmarczyk , Ignatios Athanasiadis , John F. Marshall , Chris J. Pearce

We fabricated the 1D nanoscrolled monolayer MoS2 (1L-MoS2) with superior characteristics from 1L-MoS2 film in a facile route, using a suitable organic solvent with optimum surface tension, evaporation rate and dielectric constant, which…

Materials Science · Physics 2024-02-22 C. Abinash Bhuyan , Kishore K. Madapu , K. Prabakar , K. Ganesan , A. Pandian , Sandip Dhara

Graphene, one of the strongest materials ever discovered, triggered the exploration of many 2D materials in the last decade. However, the successful synthesis of a stable nanomaterial requires a rudimentary understanding of the relationship…

Materials Science · Physics 2017-04-05 Obaidur Rahaman , Bohayra Mortazavi , Arezoo Dianat , Gianaurelio Cuniberti , Timon Rabczuk

Refractory masonry (refractories) is exposed to in-service loads of different types. To rationalise the masonry design and failure analysis, differences of failure under cyclic and monotonic loading were studied. For samples of silica…

Materials Science · Physics 2021-07-28 K. Andreev , Y. Yin , B. Luchini , I. Sabirov

The control of localized magnetic domains at the nanoscale holds great promise for next-generation spintronic applications. Colloidal transition metal dichalcogenides nanostructures are experimentally accessible and chemically tunable…

Materials Science · Physics 2025-12-18 Surender Kumar , Stefan Velja , Muhammad Sufyan Ramzan , Caterina Cocchi

During the study of resistive switching devices, researchers have found that the influence of the insertion layer cannot be ignored. Many reports have confirmed that the appropriate insertion layer can significantly improve the performance…

Applied Physics · Physics 2025-04-04 He Xiaolong , Chen Peng

With the advances in low dimensional transition metal dichalcolgenides (TMDCs) based metal oxide semiconductor field effect transistor (MOSFET), the interface between semiconductors and dielectrics has received considerable attention due to…

Computational Physics · Physics 2017-01-02 Sheng Yu , Shunjie Ran , Hao Zhu , Kwesi Eshun , Chen Shi , Kai Jiang , Qiliang Li

We investigate electromechanical properties of two-dimensional MoS$_2$ monolayers in the 1H, 1T, and 1T$^\prime$ structures as a function of charge doping by using density functional theory. We find isotropic elastic moduli in the 1H and 1T…

Materials Science · Physics 2018-02-14 Nguyen T. Hung , Ahmad R. T. Nugraha , Riichiro Saito

Two dimensional semiconductor such as single-layer transition metal dichalcogenides (SL-TMD) have attracted most attentions as an atomically thin layer semiconductor materials. Typically, lattice point defects (sulfur vacancy) created by…

Materials Science · Physics 2018-10-16 Reza Shidpour , S. M. S. Movahed

This paper investigates the effects of plasticity on the effective fracture toughness. A layered material is considered as a modelling system. An elastic-plastic phase-field model and a surfing boundary condition are used to study how the…

Computational Engineering, Finance, and Science · Computer Science 2020-10-15 Stella Brach