相关论文: Molecular Dynamics Simulation of Apolipoprotein E3…
The magnetic relaxation processes in disordered two-dimensional ensembles of dipole-coupled magnetic nanoparticles are theoretically investigated by performing numerical simulations. The energy landscape of the system is explored by…
We have analyzed the expressed manifestation of the anisotropy of surface energy density in the dynamics of ultrathin nanowires, which break up into disjointed clusters when annealed below their melting temperature. The breakup process is…
The dependence of the structure of a phospholipid layer (DSPC and SOPC) adsorbed on a hydrosol substrate on the concentration of NaOH in a solution of 5-nm silica particles has been studied by X-ray reflectrometry with the use of…
We perform a systematic application of the hybrid particle-field molecular dynamics technique [Milano et al, J. Chem. Phys. 2009, 130, 214106] to study interfacial properties and potential of mean force (PMF) for separating nanoparticles…
Graphynes and graphdiynes are generic names for families of two-dimensional carbon allotropes, where acetylenic groups connect benzenoid-like hexagonal rings, with the co-existence of sp and sp2 hybridized carbon atoms. The main differences…
We use a coarse-grained molecular model to study the self-assembly process of complexes of cationic and neutral lipids with DNA molecules ("lipoplexes") - a promising nonviral carrier of DNA for gene therapy. We identify the resulting…
Deciphering the three-dimensional atomic structure of solid-solid interfaces in core-shell nanomaterials is the key to understand their remarkable catalytical, optical and electronic properties. Here, we probe the three-dimensional atomic…
In this work, density functional theory calculations were carried out to explore the mechanical response, dynamical/thermal stability, electronic/optical properties and photocatalytic features of monoclinic As2X3 (X=S, Se and Te)…
The atomic structure and properties of nanoparticulate Fe2O3 are characterized starting from its smallest Fe2O3 building unit through (Fe2O3)n clusters to nanometer-sized Fe2O3 particles. This is achieved by combining global structure…
Throughout our history, we, humans, have sought to better control and understand our environment. To this end, we have extended our natural senses with a host of sensors-tools that enable us to detect both the very large, such as the…
We optimized designs of permanent magnet systems to study the effect of magnetic nanoparticles on cell cultures in microslide channels. This produced two designs, one of which is based on a large cylindrical magnet that applies a uniform…
In this work we study the existence, stability, and dynamics of select topological point and line defects in anti-ferromagnetic, polar phase, $F=1$ $^{23}$Na spinor condensates. Specifically, we leverage fixed-point and numerical…
Expanding the library of self-assembled superstructures provides insight into the behavior of atomic crystals and supports the development of materials with mesoscale order. Here we build upon recent findings of soft matter quasicrystals…
Predicting favorable protein-peptide binding events remains a central challenge in biophysics, with continued uncertainty surrounding how nonlocal effects shape the global energy landscape. Here, we introduce peripheral surface information…
Optically resonant all-dielectric nanostructures attractively exhibit reduced losses compared to their plasmonic counterparts; however, achieving strong field enhancements at the nanoscale, especially within solid-state media, has remained…
Optomechanical manipulation of nanoparticles enabling ultimate control over their 3D motion is nowadays one of the most highly demanded links between optics, biology, medicine, microfluidics, etc., paving the way for a plethora of emerging…
We model gas inflow patterns onto circumstellar disks and the evolution of the pseudodisk using three-dimensional resistive MHD simulations. Starting from a prestellar core without turbulence and with a misalignment between the initial…
Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on…
Two-dimensional (2D) mechanical models of confluent tissues have related the mechanical state of a monolayer of cells to the average perimeter length of the cell cross sections, predicting floppiness or rigidity of the material. For the…
Two-dimensional (2D) materials are envisaged as ultra-thin solid lubricants for nano-mechanical systems. So far, their frictional properties at the nanoscale have been studied by standard friction force microscopy. However, lateral…