Comment on "Electron transport through correlated molecules computed using the time-independent Wigner function: Two critical tests"

The many electron correlated scattering (MECS) approach to quantum electronic transport was investigated in the linear response regime [I. Baldea and H. Koeppel, Phys. Rev. B. 78, 115315 (2008)]. The authors suggest, based on numerical calculations, that the manner in which the method imposes boundary conditions is unable to reproduce the well-known phenomena of conductance quantization. We introduce an analytical model and demonstrate that conductance quantization is correctly obtained using open system boundary conditions within the MECS approach.Comment: 18 pages, 4 figures. Physical Review B, to appea

Formation and Equilibrium Properties of Living Polymer Brushes

Polydisperse brushes obtained by reversible radical chain polymerization reaction onto a solid substrate with surface-attached initiators, are studied by means of an off-lattice Monte Carlo algorithm of living polymers (LP). Various properties of such brushes, like the average chain length and the conformational orientation of the polymers, or the force exerted by the brush on the opposite container wall, reveal power-law dependence on the relevant parameters. The observed molecular weight distribution (MWD) of the grafted LP decays much more slowly than the corresponding LP bulk system due to the gradient of the monomer density within the dense pseudo-brush which favors longer chains. Both MWD and the density profiles of grafted polymers and chain ends are well fitted by effective power laws whereby the different exponents turn out to be mutually self-consistent for a pseudo-brush in the strong-stretching regime.Comment: 33 pages, 11 figues, J.Chem. Phys. accepted Oct. 199

Enhancing the work of the Islington Integrated Gangs Team: A pilot study on the response to serious youth violence in Islington

This report is the result of research conducted by the Centre for City Criminology at City, University of London, in partnership with Islington’s Integrated Gangs Team (IGT) and the Metropolitan Police Service (MPS). The research was co-funded by MPS and the School of Arts and Social Sciences, City, University of London. Following a collaborative research event in October 2017, City Criminologists were commissioned to carry out a small-scale research project to capture the work of the IGT and to make recommendations regarding its operations, coherence, effectiveness and sustainability. The research team conducted semi-structured interviews over several months with 23 practitioners across the services that constitute the IGT. This report presents the findings and recommendations

Independent particle descriptions of tunneling from a many-body perspective

Currents across thin insulators are commonly taken as single electrons moving across classically forbidden regions; this independent particle picture is well-known to describe most tunneling phenomena. Examining quantum transport from a different perspective, i.e., by explicit treatment of electron-electron interactions, we evaluate different single particle approximations with specific application to tunneling in metal-molecule-metal junctions. We find maximizing the overlap of a Slater determinant composed of single particle states to the many-body current-carrying state is more important than energy minimization for defining single particle approximations in a system with open boundary conditions. Thus the most suitable single particle effective potential is not one commonly in use by electronic structure methods, such as the Hartree-Fock or Kohn-Sham approximations.Comment: 4+ pages, 4 figures; accepted to Phys. Rev. B Rapid Communication

Dynamical Monte Carlo Study of Equilibrium Polymers : Static Properties

We report results of extensive Dynamical Monte Carlo investigations on self-assembled Equilibrium Polymers (EP) without loops in good solvent. (This is thought to provide a good model of giant surfactant micelles.) Using a novel algorithm we are able to describe efficiently both static and dynamic properties of systems in which the mean chain length \Lav is effectively comparable to that of laboratory experiments (up to 5000 monomers, even at high polymer densities). We sample up to scission energies of $E/k_BT=15$ over nearly three orders of magnitude in monomer density $\phi$, and present a detailed crossover study ranging from swollen EP chains in the dilute regime up to dense molten systems. Confirming recent theoretical predictions, the mean-chain length is found to scale as \Lav \propto \phi^\alpha \exp(\delta E) where the exponents approach $\alpha_d=\delta_d=1/(1+\gamma) \approx 0.46$ and $\alpha_s = 1/2 [1+(\gamma-1)/(\nu d -1)] \approx 0.6, \delta_s=1/2$ in the dilute and semidilute limits respectively. The chain length distribution is qualitatively well described in the dilute limit by the Schulz-Zimm distribution \cN(s)\approx s^{\gamma-1} \exp(-s) where the scaling variable is s=\gamma L/\Lav. The very large size of these simulations allows also an accurate determination of the self-avoiding walk susceptibility exponent $\gamma \approx 1.165 \pm 0.01$. ....... Finite-size effects are discussed in detail.Comment: 15 pages, 14 figures, LATE

Mechanical Response of Hollow Metallic Nanolattices: Combining Structural and Material Size Effects

Ordered cellular solids have higher compressive yield strength and stiffness compared to stochastic foams. The mechanical properties of cellular solids depend on their relative density and follow structural scaling laws. These scaling laws assume the mechanical properties of the constituent materials, like modulus and yield strength, to be constant and dictate that equivalent-density cellular solids made from the same material should have identical mechanical properties. We present the fabrication and mechanical properties of three-dimensional hollow gold nanolattices whose compressive responses demonstrate that strength and stiffness vary as a function of geometry and tube wall thickness. All nanolattices had octahedron geometry, a constant relative density, ρ ∼ 5%, a unit cell size of 5–20 μm, and a constant grain size in the Au film of 25–50 nm. Structural effects were explored by increasing the unit cell angle from 30 deg to 60 deg while keeping all other parameters constant; material size effects were probed by varying the tube wall thickness, t, from 200 nm to 635 nm, at a constant relative density and grain size. In situ uniaxial compression experiments revealed an order of magnitude increase in yield stress and modulus in nanolattices with greater lattice angles, and a 150% increase in the yield strength without a concomitant change in modulus in thicker-walled nanolattices for fixed lattice angles. These results imply that independent control of structural and material size effects enables tunability of mechanical properties of three-dimensional architected metamaterials and highlight the importance of material, geometric, and microstructural effects in small-scale mechanics