Xiaofeng Qian28
Jun Sun25
28Xiaofeng Qian
25Jun Sun
Learn More
Nucleation and kinetics of defects at the atomic scale provide the most fundamental information about the mechanical response of materials and surfaces. Recent advances in experimental and computational analyses allow us to study this phenomenon in the context of nanoindentation and localized mechanical probing of surfaces. Here, we present an analytical(More)
Recent advances in nanotechnology have stimulated novel applications in biomedicine where nanoparticles (NPs) are used to achieve drug delivery and photodynamic therapy. In chemotherapeutic cancer treatment, tumor-specific drug delivery is a topic of considerable research interest for achieving enhanced therapeutic efficacy and for mitigating adverse side(More)
We report the creation of a nanoscale electrochemical device inside a transmission electron microscope--consisting of a single tin dioxide (SnO(2)) nanowire anode, an ionic liquid electrolyte, and a bulk lithium cobalt dioxide (LiCoO(2)) cathode--and the in situ observation of the lithiation of the SnO(2) nanowire during electrochemical charging. Upon(More)
Graphene-based sp 2-carbon nanostructures such as carbon nanotubes and nanofibers can fail near their ideal strengths due to their exceedingly small dimensions. We have calculated the phonon spectra of graphene as a function of uniaxial tension by density functional perturbation theory to assess the first occurrence of phonon instability on the strain path,(More)
The use of microarray technology to perform parallel analysis of the expression pattern of a large number of genes in a single experiment has created a new frontier of medical research. The vast amount of gene expression data generated from multiple microarray experiments requires a robust database system that allows efficient data storage, retrieval,(More)
We report the first atomistic calculation of the saddle-point configuration and activation energy for the nucleation of a 3D dislocation loop from a stressed crack tip in single crystal Cu. The transition state is found using reaction pathway sampling schemes, the nudged elastic band, and dimer methods. For the (111)[110] crack, loaded typically at 75% of(More)
  • Xiao Hua Liu, Yang Liu, Akihiro Kushima, Sulin Zhang, Ting Zhu, Ju Li +1 other
  • 2012
Understanding the microscopic mechanisms of electrochemical reaction and material degradation is crucial for the rational design of high-performance lithium ion batteries (LIBs). A novel nanobattery assembly and testing platform inside a transmission electron microscope (TEM) has been designed, which allows a direct study of the structural evolution of(More)
Thermal conduction modes in a nanocolloid (nanofluid) are quantitatively assessed by combining linear response theory with molecular dynamics simulations. The microscopic heat flux is decomposed into three additive fluctuation modes, namely, kinetic, potential, and collision. For low volume fractions (<1%) of nanosized platinum clusters which interact(More)
We report the first atomistic determination of the minimum energy path for a series of bond ruptures to advance a crack front. Saddle-point configurations on (111) cleavage planes in Si reveal a steplike distribution of atomic displacements, implying a kink mechanism which is known to control dislocation mobility. Manifestations of lattice trapping and(More)