Quantum Monte Carlo study of circular quantum dots in presence of Rashba interaction

We present the numerical Quantum Monte Carlo results for the ground state energy of circular quantum dots in which Rashba spin-orbit iteraction is present. Diffusion Monte Carlo with spin propagation is applied in order to treat the spin-orbit interaction correctly, following previous work done in the fieldof the two-dimensional electron gas. Together with ground state energies, also numerical results for density and spin-density profiles are given

Spin-orbit excitations of quantum wells

Confinement asymmetry effects on the photoabsorption of a quantum well are discussed by means of a sum-rules approach using a Hamiltonian including a Rashba spin-orbt coupling. We show that while the strength of the excitation is zero when the spin-orbit coupling is neglected, the inclusion of the spin-orbit interaction gives rise to a non zero strength and mean excitation energy in the far-infrared region. A simple expression for these quantities up to the second order in the Rashba parameter was derived. The effect of two-body Coulomb interaction is then studied by means of a Quantum Monte Carlo calculation, showing that electron-electron correlations induce only a small deviation from the independent particle model result

The Conformal Willmore Functional: a Perturbative Approach

The conformal Willmore functional (which is conformal invariant in general Riemannian manifold $(M,g)$) is studied with a perturbative method: the Lyapunov-Schmidt reduction. Existence of critical points is shown in ambient manifolds $(\mathbb{R}^3, g_\epsilon)$ -where $g_\epsilon$ is a metric close and asymptotic to the euclidean one. With the same technique a non existence result is proved in general Riemannian manifolds $(M,g)$ of dimension three.Comment: 34 pages; Journal of Geometric Analysis, on line first 23 September 201

Adsorption of rare-gas atoms on Cu(111) and Pb(111) surfaces by van der Waals-corrected Density Functional Theory

The DFT/vdW-WF method, recently developed to include the Van der Waals interactions in Density Functional Theory (DFT) using the Maximally Localized Wannier functions, is applied to the study of the adsorption of rare-gas atoms (Ne, Ar, Kr, and Xe) on the Cu(111) and Pb(111) surfaces, at three high-symmetry sites. We evaluate the equilibrium binding energies and distances, and the induced work-function changes and dipole moments. We find that, for Ne, Ar, and Kr on the Cu(111) surface the different adsorption configurations are characterized by very similar binding energies, while the favored adsorption site for Xe on Cu(111) is on top of a Cu atom, in agreement with previous theoretical calculations and experimental findings, and in common with other close-packed metal surfaces. Instead, the favored site is always the hollow one on the Pb(111) surface, which therefore represents an interesting system where the investigation of high-coordination sites is possible. Moreover, the Pb(111) substrate is subject, upon rare-gas adsorption, to a significantly smaller change in the work function (and to a correspondingly smaller induced dipole moment) than Cu(111). The role of the chosen reference DFT functional and of different Van der Waals corrections, and their dependence on different rare-gas adatoms, are also discussed

Critical sets of nonlinear Sturm-Liouville operators of Ambrosetti-Prodi type

The critical set C of the operator F:H^2_D([0,pi]) -> L^2([0,pi]) defined by F(u)=-u''+f(u) is studied. Here X:=H^2_D([0,pi]) stands for the set of functions that satisfy the Dirichlet boundary conditions and whose derivatives are in L^2([0,pi]). For generic nonlinearities f, C=\cup C_k decomposes into manifolds of codimension 1 in X. If f''0, the set C_j is shown to be non-empty if, and only if, -j^2 (the j-th eigenvalue of u -> u'') is in the range of f'. The critical components C_k are (topological) hyperplanes.Comment: 6 pages, no figure

Direct electrification of Rh/Al2O3 washcoated SiSiC foams for methane steam reforming: An experimental and modelling study

Electrified methane steam reforming (eMSR) is a promising concept for low-carbon hydrogen production. We investigate an innovative eMSR reactor where SiSiC foams, coated with Rh/Al2O3 catalyst, act as electrical resistances to generate the reaction heat via the Joule effect. The novel system was studied at different temperatures, space velocities, operating pressures and catalyst loadings. Thanks to efficient heating, active catalyst and optimal substrate geometry, complete methane conversions were observed even at a high space velocity of 200000 Nl/h/kgcat. A specific energy demand as low as 1.24 kWh/Nm3H2, with an unprecedented energy efficiency of 81%, was achieved on a washcoated foam with catalyst density of 86.3 g/L (GHSV = 150000 Nl/h/kgcat, S/C = 4.1, ambient pressure). A mathematical model was validated against measured performance indicators and used to design an intensified eMSR unit for small scale H2 production.(c) 2023 The Authors. Published by Elsevier Ltd on behalf of Hydrogen Energy Publications LLC. This is an open access article under the CC BY-NC-ND license (http:// creativecommons.org/licenses/by-nc-nd/4.0/)

Physical Adsorption at the Nanoscale: Towards Controllable Scaling of the Substrate-Adsorbate van der Waals Interaction

The Lifshitz-Zaremba-Kohn (LZK) theory is commonly considered as the correct large-distance limit for the van der Waals (vdW) interaction of adsorbates (atoms, molecules, or nanoparticles) with solid substrates. In the standard approximate form, implicitly based on "local" dielectric functions, the LZK approach predicts universal power laws for vdW interactions depending only on the dimensionality of the interacting objects. However, recent experimental findings are challenging the universality of this theoretical approach at finite distances of relevance for nanoscale assembly. Here, we present a combined analytical and numerical many-body study demonstrating that physical adsorption can be significantly enhanced at the nanoscale. Regardless of the band gap or the nature of the adsorbate specie, we find deviations from conventional LZK power laws that extend to separation distances of up to 10--20 nanometers. Comparison with recent experimental observation of ultra long-ranged vdW interactions in the delamination of graphene from a silicon substrate reveals qualitative agreement with the present theory. The sensitivity of vdW interactions to the substrate response and to the adsorbate characteristic excitation frequency also suggests that adsorption strength can be effectively tuned in experiments, paving the way to an improved control of physical adsorption at the nanoscale

Action minimizing orbits in the n-body problem with simple choreography constraint

In 1999 Chenciner and Montgomery found a remarkably simple choreographic motion for the planar 3-body problem (see \cite{CM}). In this solution 3 equal masses travel on a eight shaped planar curve; this orbit is obtained minimizing the action integral on the set of simple planar choreographies with some special symmetry constraints. In this work our aim is to study the problem of $n$ masses moving in \RR^d under an attractive force generated by a potential of the kind $1/r^\alpha$, $\alpha >0$, with the only constraint to be a simple choreography: if $q_1(t),...,q_n(t)$ are the $n$ orbits then we impose the existence of x \in H^1_{2 \pi}(\RR,\RR^d) such that q_i(t)=x(t+(i-1) \tau), i=1,...,n, t \in \RR, where $\tau = 2\pi / n$. In this setting, we first prove that for every d,n \in \NN and $\alpha>0$, the lagrangian action attains its absolute minimum on the planar circle. Next we deal with the problem in a rotating frame and we show a reacher phenomenology: indeed while for some values of the angular velocity minimizers are still circles, for others the minima of the action are not anymore rigid motions.Comment: 24 pages; 4 figures; submitted to Nonlinearit

Positive Least Energy Solutions and Phase Separation for Coupled Schrodinger Equations with Critical Exponent: Higher Dimensional Case

We study the following nonlinear Schr\"{o}dinger system which is related to Bose-Einstein condensate: {displaymath} {cases}-\Delta u +\la_1 u = \mu_1 u^{2^\ast-1}+\beta u^{\frac{2^\ast}{2}-1}v^{\frac{2^\ast}{2}}, \quad x\in \Omega, -\Delta v +\la_2 v =\mu_2 v^{2^\ast-1}+\beta v^{\frac{2^\ast}{2}-1} u^{\frac{2^\ast}{2}}, \quad x\in \om, u\ge 0, v\ge 0 \,\,\hbox{in \om},\quad u=v=0 \,\,\hbox{on \partial\om}.{cases}{displaymath} Here \om\subset \R^N is a smooth bounded domain, $2^\ast:=\frac{2N}{N-2}$ is the Sobolev critical exponent, -\la_1(\om)0 and $\beta\neq 0$, where \lambda_1(\om) is the first eigenvalue of $-\Delta$ with the Dirichlet boundary condition. When \bb=0, this is just the well-known Brezis-Nirenberg problem. The special case N=4 was studied by the authors in (Arch. Ration. Mech. Anal. 205: 515-551, 2012). In this paper we consider {\it the higher dimensional case $N\ge 5$}. It is interesting that we can prove the existence of a positive least energy solution (u_\bb, v_\bb) {\it for any $\beta\neq 0$} (which can not hold in the special case N=4). We also study the limit behavior of (u_\bb, v_\bb) as $\beta\to -\infty$ and phase separation is expected. In particular, u_\bb-v_\bb will converge to {\it sign-changing solutions} of the Brezis-Nirenberg problem, provided $N\ge 6$. In case \la_1=\la_2, the classification of the least energy solutions is also studied. It turns out that some quite different phenomena appear comparing to the special case N=4.Comment: 48 pages. This is a revised version of arXiv:1209.2522v1 [math.AP