相关论文: Scaling Behavior of Bipolar Nanopore Rectification…
The formation of biomolecular condensates inside cells often involve intrinsically disordered proteins (IDPs), and several of these IDPs are also capable of forming droplet-like dense assemblies on their own, through liquid-liquid phase…
A previously developed field-theoretic model [R.D. Coalson et al., J. Chem. Phys. 102, 4584 (1995)] that treats core collisions and Coulomb interactions on the same footing is investigated in order to understand ion size effects on the…
We investigate with computer simulations the critical radius of pores in a lipid bilayer membrane. Ilton et al. (2016) recently showed that nucleated pores in a homopolymer film can increase or decrease in size, depending on whether they…
We use Metropolis Monte Carlo and umbrella sampling to calculate the free energies of interaction of two methane molecules and their charged derivatives in cylindrical water-filled pores. Confinement strongly alters the interactions between…
It is conventional to choose a typical momentum transfer of the process as the renormalization scale and take an arbitrary range to estimate the uncertainty in the QCD prediction. However, predictions using this procedure depend on the…
We investigate scaling rules for the ionization cross sections of multicharged ions on molecules of biological interest. The cross sections are obtained using a methodology presented in [Mendez et al. J. Phys B (2020)], which considers…
We analyze the baryonic semilepton decay $\Lambda_{b} \rightarrow$ $\Lambda \mu^{+} \mu^{-}$ in the scalar leptoquark models with $X(3,2,7/6)$ and $X(3,2,1/6)$ states, respectively. We also discuss the effects of this two NP models on some…
We propose and examine the use of biphoton pairs, such as those created in parametric down conversion or four-wave mixing, to enhance the precision and the resolution of measuring optical displacements by position-sensitive detection. We…
Monte Carlo simulations are used to study the conformational properties of a folded semiflexible polymer confined to a long channel. We measure the variation in the conformational free energy with respect to the end-to-end distance of the…
Extensive Monte Carlo data analysis gives clear evidence that collapsed linear polymers in two dimensions fall in the universality class of athermal, dense self-avoiding walks, as conjectured by B.Duplantier [Phys.Rev.Lett. 71, 4274…
A linear scaling method for calculation of the static {\em ab inito} response within self-consistent field theory is developed and applied to calculation of the static electric polarizability. The method is based on density matrix…
We study a rectifying mutant of the OmpF porin ion channel using both all-atom and reduced models. The mutant was created by Miedema et al. [Nano Lett., 2007, 7, 2886] on the basis of the N-P semiconductor diode, in which an N-P junction is…
The relaxed and unrelaxed formation energies of neutral antisites and interstitial defects in InP are calculated using ab initio density functional theory and simple cubic supercells of up to 512 atoms. The finite size errors in the…
Bipolar nanoporous membranes and bipolar nanochannels are used in water desalination and energy-harvesting systems that provide clean water and green energy, respectively. The growing need for both requires continuous improvement of their…
We expand the blob theory for freely-jointed chains and perform molecular dynamics simulations to study the behavior of polymers confined in cylindrical channels. From weak to strong confinement, five scaling regimes, de Gennes, extended de…
The shift in the backbone of the frequency--response curve and the `jump-down' observed at a critical frequency observed in nano-resonators are caused by their nonlinear mechanical response. The shift and jump-down point are therefore often…
Nanopores that exhibit ionic current rectification (ICR) behave like diodes, such that they transport ions more efficiently in one direction than the other. Conical nanopores have been shown to rectify ionic current, but only those with at…
We have investigated bound modes in finite linear chains of dielectric particles of various lengths, interparticle spacing and particle materials. Through a unique application of the multisphere Mie scattering formalism, we have developed…
Ionic liquids constrained at interfaces or restricted in subnanometric pores are increasingly employed in modern technologies, including energy applications. Understanding the details of their behavior in these conditions is therefore…
The Perdew-Zunger (PZ) method provides a way to remove the self-interaction (SI) error from density functional approximations on an orbital by orbital basis. The PZ method provides significant improvements for the properties such as barrier…