No abstract

This letter addresses the issue of surface softening versus stiffening during elastic deformation. Using a combination of molecular statics and ab initio calculations, we show that a solid surface can be either softer or stiffer elastically than the corresponding bulk. Whether a particular surface is softer or stiffer depends on the competition between atomic coordination and electron redistribution (which sometimes is referred as bond saturation) on the surface. Taking Cu as an example, we demonstrate that the Young’s modulus along 〈110〉 direction on {100} surface is larger than its bulk counterpart; meanwhile, it is smaller along 〈100〉 direction on {100} surface.

Triple-negative breast cancer (TNBC) is a collection of biologically diverse cancers characterized by distinct transcriptional patterns, biology, and immune composition. TNBCs subtypes include two basal-like (BL1, BL2), a mesenchymal (M) and a luminal androgen receptor (LAR) subtype. Through a comprehensive analysis of mutation, copy number, transcriptomic, epigenetic, proteomic, and phospho-proteomic patterns we describe the genomic landscape of TNBC subtypes. Mesenchymal subtype tumors display high mutation loads, genomic instability, absence of immune cells, low PD-L1 expression, decreased global DNA methylation, and transcriptional repression of antigen presentation genes. We demonstrate that major histocompatibility complex I (MHC-I) is transcriptionally suppressed by H3K27me3 modifications by the polycomb repressor complex 2 (PRC2). Pharmacological inhibition of PRC2 subunits EZH2 or EED restores MHC-I expression and enhances chemotherapy efficacy in murine tumor models, providing a rationale for using PRC2 inhibitors in PD-L1 negative mesenchymal tumors. Subtype-specific differences in immune cell composition and differential genetic/pharmacological vulnerabilities suggest additional treatment strategies for TNBC.

Nanowires are among the most exciting one-dimensional nanomaterials because of their unique properties, which result primarily from their chemical composition and large surface area to volume ratio. These properties make them ideal building blocks for the development of next generation electronics, opto-electronics, and sensor systems. In this article, we focus on the unique mechanical properties of nanowires, which emerge from surface atoms having different electron densities and fewer bonding neighbors than atoms lying within the nanowire bulk. In this respect, atomistic simulations have revealed a plethora of novel surface-driven mechanical behavior and properties, including both increases and decreases in elastic stiffness, phase transformations, shape memory, and pseudoelastic effects. This article reviews such atomistic simulations, as well as experimental data of these phenomena, while assessing future challenges and directions.

This work presents a proposed mechanism for fabricating Y-shaped nanorods, demonstrates the feasibility of the proposal through classical molecular dynamics simulations, and validates the simulations through magnetron sputter deposition experiments. The proposed mechanism relies primarily on the formation of stacking faults during deposition and to a lesser degree on diffusion kinetics and geometrical shadowing. Applications of the proposed mechanism may enable the design of nanorod arrays with controlled branching.