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We theoretically investigate electrostatic properties between two charged surfaces with a grafted polyelectrolyte layer in an aqueous electrolyte solution by using the Poisson-Boltzmann approach accounting for ion partitioning. In order to…

Soft Condensed Matter · Physics 2022-02-07 Jun-Sik Sin

Within the framework of the Landau-Ginzburg-Devonshire approach we explore the impact of elastic anisotropy, electrostriction, flexoelectric couplings, and mismatch strain on the domain structure morphology in ferroelectric core-shell…

Using large-scale atomistic simulations, dislocation mechanics in the presence of linear complexions are investigated in an Fe-Ni alloy, where the complexions appear as nanoparticle arrays along edge dislocation lines. When mechanical shear…

Materials Science · Physics 2020-12-09 Vladyslav Turlo , Timothy J. Rupert

The thermally activated motion of dislocations across fields of obstacles distributed at random and in a correlated manner, in separate models, is studied by means of computer simulations. The strain rate sensitivity and strength are…

Computational Physics · Physics 2018-07-27 Zhijie Xu , Catalin Picu

Reversible control of surface wettability has wide applications in lab-on-chip systems, tunable optical lenses, and microfluidic tools. Using a graphene sheet as a sample material and molecular dynamic (MD) simulations, we demonstrate that…

Mesoscale and Nanoscale Physics · Physics 2013-04-18 Wei Xiong , Jefferson Zhe Liu , Zhiliang Zhang , Quanshui Zheng

We present an electron tomography method that allows for the identification of hundreds of electrocatalyst nanoparticles with one-to-one correspondence before and after electrochemical aging. This method allows us to track, in…

We provide an analytical solution to study the near field optical effect of a core-shell nanostructure in proximity to a flat surface, within quasi-static approximation. The distribution of electrostatic potential and field enhancement in…

Mesoscale and Nanoscale Physics · Physics 2014-01-30 Wenping Cui , Mingda Li , Zuyang Dai , Qingping Meng , Yimei Zhu

Understanding irradiation-induced strain in silicon carbide (SiC) is essential for designing radiation-tolerant ceramic materials. However, conventional methods often fail to resolve nanoscale strain gradients, especially in polycrystalline…

Flexible strain sensors are critical to several potential intelligent applications, such as human-machine interfaces, soft robotics, human motion detection, and safety monitoring of components. Stretchable functional materials are important…

The formation of drops of a complex fluid, for instance including dissolved polymers and/or solid particles, has practical implications in several industrial and biophysical processes. In this Letter, we experimentally investigate the…

Soft Condensed Matter · Physics 2021-06-09 Virgile Thiévenaz , Alban Sauret

Particle-based simulations are performed to study the post-relaxation dynamics of functionalized (patchy) colloids adsorbed on an attractive substrate. Kinetically arrested structures that depend on the number of adsorbed particles and the…

Soft Condensed Matter · Physics 2015-09-02 C. S. Dias , C. Braga , N. A. M. Araujo , M. M. Telo da Gama

Plastic flow in body-centered cubic (BCC) metals and dilute/concentrated alloys is governed by the motion of <111> screw dislocations, whose glide is often impeded by cross-kinks (jogs). While existing strengthening models typically treat…

Materials Science · Physics 2026-02-20 Subhendu Chakraborty , Liang Qi

Lithium-ion batteries have attracted enormous interests recently as promising power sources. However, the safety issue associated with the employment of highly flammable liquid electrolyte impedes the further development of next-generation…

Applied Physics · Physics 2019-09-25 Yun Zhao , Yuqing Chen , Yuqiong Kang , Li Wang , Shaobin Yang , Zheng Liang , Yanxi Li

Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…

Numerical Analysis · Mathematics 2024-04-03 R. Schoof , G. F. Castelli , W. Dörfler

In a recent Letter [N. Lehto and S. Oberg, Phys. Rev. Lett. 80, 5568 (1998)], Lehto and Oberg investigated the effects of strain fields on the core structure of the 90-degree partial dislocation in silicon, especially the influence of the…

Materials Science · Physics 2009-10-31 R. W. Nunes , David Vanderbilt

Alloyed metal nanoparticles are a promising platform for plasmonically enabled hot-carrier generation, which can be used to drive photochemical reactions. Although the non-plasmonic component in these systems has been investigated for its…

Mesoscale and Nanoscale Physics · Physics 2024-08-15 Jakub Fojt , Tuomas P. Rossi , Priyank V. Kumar , Paul Erhart

Lattice deformations in graphene couple to the low-energy electronic degrees of freedom as effective scalar and gauge fields. Using molecular dynamics simulations, we show that the optical component of the displacement field, i.e., the…

Mesoscale and Nanoscale Physics · Physics 2025-04-11 Christophe De Beule , Robin Smeyers , Wilson Nieto Luna , E. J. Mele , Lucian Covaci

The combined effect due to mechanical strain, coupling to the plasmons in a doped conducting substrate, the plasmon-phonon scattering in conjunction with the role played by encapsulation of a secondary two-dimensional (2D) layer is…

Mesoscale and Nanoscale Physics · Physics 2018-08-01 Dipendra Dahal , Godfrey Gumbs , Danhong Huang

Strain modulation is a crucial way in engineering nanoscale materials. It is even more important for single photon emitters in layered materials, where strain can create quantum emitters and control their energies. Here we report the…

Mesoscale and Nanoscale Physics · Physics 2024-12-31 Qiaohui Zhou , Fei Wang , Ali Soleymani , Kenji Watanabe , Takashi Taniguchi , Jiang Wei , Xin Lu

Most of the commercially important alloys are multicomponent, producing multiphase microstructures as a result of processing. When the coexisting phases are elastically coherent, the elastic interactions between these phases play a major…

Materials Science · Physics 2019-04-17 Sandeep Sugathan , Saswata Bhattacharya