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Organic electrode-active materials (OAMs) not only enable a variety of charge and storage mechanisms, but are also safer for the environment and of lower cost compared to materials in commonly used lithium-ion batteries. Cross-linked…
Atomic masses are a foundational quantity in our understanding of nuclear structure, astrophysics and fundamental symmetries. The long-standing goal of creating a predictive global model for the binding energy of a nucleus remains a…
We present a method for computing locally varying nonlinear mechanical properties in particle simulations of amorphous solids. Plastic rearrangements outside a probed region are suppressed by introducing an external field that directly…
The change in refractive index around plasmonic nanoparticles upon binding to biomolecules is routinely used in localized surface plasmon resonance (LSPR) based biosensors and in bio-sensing platforms. In this study, the plasmon sensitivity…
Atomic scale nanowires attract enormous interest in a wide range of fields. On the one hand, due to their quasi-one-dimensional nature, they can act as a experimental testbed for exotic physics: Peierls instability, charge density waves,…
The scintillation mechanism in NaI:Tl crystals produces different pulse shapes that are dependent on the incoming particle type. The time distribution of scintillation light from nuclear recoil events decays faster than for electron recoil…
Using scanning tunneling microscopy (STM), we experimentally and theoretically investigate isolated platinum phthalocyanine (PtPc) molecules adsorbed on atomically thin NaCl(100) vapor deposited on Au(111). We obtain good agreement between…
With a two-dimensional (2D) optical mask, nanoscale patterns are created for the first time in an atom lithography process using metastable helium atoms. The internal energy of the atoms is used to locally damage a hydrofobic resist layer,…
Precision measurements of neutron properties, like its permanent electric dipole moment, rely on understanding complex experimental setups in detail. We show how the properties of stored and transported ultracold neutron ensembles can be…
We have studied nuclear quadrupole deformation effects in deeply bound pionic atoms theoretically. We have evaluated the level shifts and widths of the hyperfine components using the first order perturbation theory and compared them with…
During the dielectric breakdown process of thin solid-state nanopores, the application of high voltages may cause the formation of multi-nanopores on one chip, which number and sizes are important for their applications. Here, simulations…
The deformation of Ne isotopes in the island-of-inversion region is determined by the double-folding model with the Melbourne $g$-matrix and the density calculated by the antisymmetrized molecular dynamics (AMD). The double-folding model…
We review the physics of purely leptonic decays of $\pi^\pm$, $K^\pm$, $D^{\pm}$, $D_s^\pm$, and $B^\pm$ pseudoscalar mesons. The measured decay rates are related to the product of the relevant weak-interaction-based CKM matrix element of…
We present a detailed method to simulating sensor distortions using a photon and electron Monte Carlo method. We use three dimensional electrostatic simulations to parameterize the perturbed electric field profile for non-ideal sensor…
In this work we study the tertiary structure of ionic surfactants when the pH in the system is modified using electrostatic dissipative particle dynamics simulations (DPD). The dependence with pH and kind of surfactant is presented. Our…
The local variation in inter-atomic distances, or local lattice strain often influences significantly material properties of nanoparticles. Strain measurement with ~1% precision is provided by recent atomic-resolution electron microscopy.…
We measure the resonance line shape of atomic vapor layers with nanoscale thickness confined between two sapphire windows. The measurement is performed by scanning a probe laser through resonance and collecting the scattered light. The line…
In a recent Letter [Phys. Rev. Lett. 103, 097403 (2009)], we outlined a computational method to calculate the optical properties of structures with a spatially nonlocal dielectric function. In this Article, we detail the full method, and…
Simulations have acted as a cornerstone to understand MOF/polymer interface structure, however, no molecular-level simulation has yet been performed at the nanoparticle scale. In this work, a hybrid MARTINI/Force Matching (FM) force field…
We simulate the localized surface plasmon resonances of an Au nanoparticle within tunneling proximity of a Au substrate and demonstrate that the modes may be identified with those responsible for light emission from a scanning tunneling…