Supergravity-Steered Generic Manufacturing of Nanosheets-Embedded Nanocomposite Hydrogel with Highly Oriented, Heterogeneous Architecture.

Designing nanocomposite hydrogels with oriented nanosheets has emerged as a promising toolkit to achieve preferential performances that go beyond their disordered counterparts. Although current fabrication strategies via electric/magnetic force fields have made remarkable achievements, they necessitate special properties of nanosheets and suffer from an inferior orientation degree of nanosheets. Herein, a facile and universal approach is discovered to elaborate MXene-based nanocomposite hydrogels with highly oriented, heterogeneous architecture by virtue of supergravity to replace conventional force fields.

Resolving the dynamic properties of entangled linear polymers in non-equilibrium coarse grain simulation with scaling factors.

The molecular weight of polymers can influence the material properties, but the molecular weight at the experiment level sometimes can be a huge burden for property prediction with full-atomic simulations. The traditional bottom-up coarse grain (CG) simulation can reduce the computation cost. However, the dynamic properties predicted by the CG simulation can deviate from the full-atomic simulation result.

Ferroelectric Domain and Switching Dynamics in Curved InSe: First-Principles and Deep Learning Molecular Dynamics Simulations.

Despite its prevalence in experiments, the influence of complex strain on material properties remains understudied due to the lack of effective simulation methods. Here, the effects of bending, rippling, and bubbling on the ferroelectric domains are investigated in an InSe monolayer by density functional theory and deep learning molecular dynamics simulations. Since the ferroelectric switching barrier can be increased (decreased) by tensile (compressive) strain, automatic polarization reversal occurs in α-InSe with a strain gradient when it is subjected to bending, rippling, or bubbling deformations to create localized ferroelectric domains with varying sizes.

Effect of nonaffine displacement on the mechanical performance of degraded PCL and its graphene composites: an atomistic investigation.

Evaluating the mechanical properties of biodegradable implants can be challenging for experiments and time-consuming for materials with a slow degradation rate, such as polycaprolactone (PCL). In this work, the effects of chain scission and water erosion on the mechanical properties of degraded PCL are investigated by molecular dynamics simulation. The decrease of the mechanical performance is correlated with the increase of the nonaffine displacement during the degradation.

Exceptional Deformability of Wurtzite Zinc Oxide Nanowires with Growth Axial Stacking Faults.

To ensure reliability and facilitate the strain engineering of zinc oxide (ZnO) nanowires (NWs), it is significant to understand their flexibility thoroughly. In this study, single-crystalline ZnO NWs with rich axial pyramidal I () and prismatic stacking faults (SFs) are synthesized by a metal oxidation method. Bending properties of the as-synthesized ZnO NWs are investigated at the atomic scale using an high-resolution transmission electron microscopy (HRTEM) technique.

Effect of Fe-doping on bending elastic properties of single-crystalline rutile TiO nanowires.

Transition-metal-doping can improve some physical properties of titanium dioxide (TiO) nanowires (NWs), which leads to important applications in miniature devices. Here, we investigated the elastic moduli of single-crystalline pristine and Fe-doped rutile TiO NWs using the three-point bending method, which is taken as a case study of impacts on the elastic properties of TiO NWs caused by transition-metal-doping. The Young's modulus of the pristine rutile TiO NWs decreases when the cross-sectional area increases (changing from 246 GPa to 93.

First-Principles Prediction of a Room-Temperature Ferromagnetic Janus VSSe Monolayer with Piezoelectricity, Ferroelasticity, and Large Valley Polarization.

Inspired by recent experiments on the successful fabrication of monolayer Janus transition-metal dichalcogenides [ Lu , A.-Y. ; Nat.

General existence of flexural mode doublets in nanowires targeting vectorial sensing applications.

Nanowires (NWs) are one of the fundamental building blocks for nanoscale devices, and have been frequently utilized as mechanical resonators. Earlier studies show that ultra-sensitive vectorial sensing toolkits can be fabricated by changing the flexural mode of NWs to oscillation doublets along two orthogonal directions. Based on in silico studies and the Timoshenko beam theory, this work finds that the dual orthogonal flexural mode of NWs can be effectively controlled through the proper selection of their growth direction.