Advanced Functional Materials, EarlyView.This research applies advanced laser beam shaping (LCoS‐SLM) to fabricate the Ti‐6Al‐4V alloy via laser powder bed fusion. A tailored beam is used to prevent martensite formation and create a dual α+β microstructure by controlling cooling rates.
Reza Esmaeilzadeh +8 more
wiley +1 more source
Molecular Dynamics Simulation on Polymer Tribology: A Review
LubricantsA profound comprehension of friction and wear mechanisms is essential for the design and development of high-performance polymeric materials for tribological application. However, it is difficult to deeply investigate the polymer friction process in situ
Tianqiang Yin +6 more
doaj +1 more source
Electric Pulse Regulated MXene Based Nanozymes for Integrative Bioelectricity Immuno‐Cancer Therapy
Advanced Functional Materials, EarlyView.MXenzyme‐mediated bioelectricity cancer therapy (MXenzyme‐BECT) enhances cancer cell death through irreversible depolarization, ion channel disruption, ROS generation, and immunogenic cell death. Computational simulations reveal the electrical mechanisms by which MXenzyme acts on single cells and support to predict treatment parameters. Next‐generation
Sanghee Lee +6 more
wiley +1 more source
Thermal transport in fullerene-based molecular junctions: Molecular dynamics simulations [PDF]
arXivWe investigate phonon thermal transport of fullerene-based single-molecule junctions by employing classical molecular dynamics simulations. The thermal conductances of fullerene monomers, dimers, and trimers are computed through three distinct molecular dynamics methods, by following the equilibration dynamics in one method, and using two other ...
arxiv
Making Photoresponsive Metal–Organic Frameworks an Effective Class of Heterogeneous Photocatalyst
Advanced Functional Materials, EarlyView.This review summarizes photoresponsive MOFs for photocatalytic applications, focusing on their capacity to enhance light harvesting, charge transfer, and surface reactions. While existing studies provide foundational insights, emerging characterization techniques enable a deeper understanding of photoresponsive MOFs.
Rui Liu +3 more
wiley +1 more source
Pump–probe spectroscopy of the hydrated electron: A quantum molecular dynamics simulation [PDF]
, 1994 Benjamin J. Schwartz, Peter J. Rossky
openalex +1 more source
Shape‐Reconfigurable Crack‐Based Strain Sensor with Ultrahigh and Tunable Sensitivity
Advanced Functional Materials, EarlyView.A highly sensitive crack‐based sensor with tunable strain detection capabilities is demonstrated through controlled nanocrack formation in a line‐patterned shape memory polymer substrate. The sensor design integrates thermoplastic polyurethane and poly(lactic acid), enabling thermo‐responsive reconfiguration of crack geometry.
Seungjae Lee +10 more
wiley +1 more source
Highly concentrated salt solutions: Molecular dynamics simulations of structure and transport [PDF]
, 1994 Vilia Ann Payne +4 more
openalex +1 more source
Inter‐Layer Diffusion of Excitations in 2D Perovskites Revealed by Photoluminescence Reabsorption
Advanced Functional Materials, EarlyView.Inter‐layer diffusion of photoexcitations is monitored in thin films of the 2D perovskite (PEA)2PbI4 by tracking time‐dependent changes in photoluminescence spectra induced by photon reabsorption effects. A low out‐of‐plane excitation diffusion coefficient of 0.26 × 10−4 cm2 s−1 is determined through 1D diffusion modeling.
Jiaxing Du +7 more
wiley +1 more source
Effects of chain length of surfactants on the interfacial tension: molecular dynamics simulations and experiments [PDF]
, 1990 Berend Smit +3 more
openalex +1 more source