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MXenes are a new, and growing, family of 2D materials with very promising properties for a wide variety of applications. Obtained from the etching of MAX phases, numerous properties can be targeted thanks to the chemical richness of the precursors. Herein, we highlight how etching agents govern surface chemistries of Ti$_3$C$_2$T$_x$, the most widely studied MXene to date. By combining characterization tools such as X-ray diffraction, X-ray photoelectron, Raman and electron energy loss spectroscopies, scanning and transmission electron microscopies and a surface sensitive electrochemical reaction-the hydrogen evolution reaction, HER-we clearly demonstrate that the etching agent (HF, LiF/HCl or FeF$_3$/HCl) strongly modifies the nature of surface terminal groups (F, OH and/or O), oxidation sensitivity, delamination ability, nature of the inserted species, interstratification, concentration of defects and size of flakes. Beyond showing how using these different characterization tools to analyze MXenes, this work highlights that the MXene synthesis routes can influence targeted applications.

Starting with a quantum particle on a closed manifold without boundary, we consider the process of generating boundaries by modding out by a group action with fixed points, and we study the emergent quantum dynamics on the quotient manifold. As an illustrative example, we consider a free nonrelativistic quantum particle on the circle and generate the interval via parity reduction. A free particle with Neumann and Dirichlet boundary conditions on the interval is obtained, and, by changing the metric near the boundary, Robin boundary conditions can also be accommodated. We also indicate a possible method of generating non-local boundary conditions. Then, we explore an alternative generation mechanism which makes use of a folding procedure and is applicable to a generic Hamiltonian through the emergence of an ancillary spin degree of freedom., Comment: 19 pages, 4 figures

We consider the quantum dynamics of a free nonrelativistic particle moving in a cavity and we analyze the effect of a rapid switching between two different boundary conditions. We show that this procedure induces, in the limit of infinitely frequent switchings, a new effective dynamics in the cavity related to a novel boundary condition. We obtain a dynamical composition law for boundary conditions which gives the emerging boundary condition in terms of the two initial ones.

We describe a new method to automatically discriminate between patients with Alzheimer's disease (AD) or mild cognitive impairment (MCI) and elderly controls, based on multidimensional classification of hippocampal shape features. This approach uses spherical harmonics (SPHARM) coefficients to model the shape of the hippocampi, which are segmented from magnetic resonance images (MRI) using a fully automatic method that we previously developed. SPHARM coefficients are used as features in a classification procedure based on support vector machines (SVM). The most relevant features for classification are selected using a bagging strategy. We evaluate the accuracy of our method in a group of 23 patients with AD (10 males, 13 females, age $\pm$ standard-deviation (SD) = 73 $\pm$ 6 years, mini-mental score (MMS) = 24.4 $\pm$ 2.8), 23 patients with amnestic MCI (10 males, 13 females, age $\pm$ SD = 74 $\pm$ 8 years, MMS = 27.3 $\pm$ 1.4) and 25 elderly healthy controls (13 males, 12 females, age $\pm$ SD = 64 $\pm$ 8 years), using leave-one-out cross-validation. For AD vs controls, we obtain a correct classification rate of 94%, a sensitivity of 96%, and a specificity of 92%. For MCI vs controls, we obtain a classification rate of 83%, a sensitivity of 83%, and a specificity of 84%. This accuracy is superior to that of hippocampal volumetry and is comparable to recently published SVM-based whole-brain classification methods, which relied on a different strategy. This new method may become a useful tool to assist in the diagnosis of Alzheimer's disease., Comment: Data used in the preparation of this article were obtained from the Alzheimer's Disease Neuroimaging Initiative (ADNI) database

We present here a set of lecture notes on exact fluctuation relations. We prove the Jarzynski equality and the Crooks fluctuation theorem, two paradigmatic examples of classical fluctuation relations. Finally we consider their quantum versions, and analyze analogies and differences with the classical case., Comment: 20 pages, 3 figures

We present here a set of lecture notes on quantum thermodynamics and canonical typicality. Entanglement can be constructively used in the foundations of statistical mechanics. An alternative version of the postulate of equal a priori probability is derived making use of some techniques of convex geometry

We establish a bijection between the self-adjoint extensions of the Laplace operator on a bounded regular domain and the unitary operators on the boundary. Each unitary encodes a specific relation between the boundary value of the function and its normal derivative. This bijection sets up a characterization of all physically admissible dynamics of a nonrelativistic quantum particle confined in a cavity. More- over, this correspondence is discussed also at the level of quadratic forms. Finally, the connection between this parametrization of the extensions and the classical one, in terms of boundary self-adjoint operators on closed subspaces, is shown., Comment: 16 pages

During the last years, several algorithmic meta-theorems have appeared (Bodlaender et al. [FOCS 2009], Fomin et al. [SODA 2010], Kim et al. [ICALP 2013]) guaranteeing the existence of linear kernels on sparse graphs for problems satisfying some generic conditions. The drawback of such general results is that it is usually not clear how to derive from them constructive kernels with reasonably low explicit constants. To fill this gap, we recently presented [STACS 2014] a framework to obtain explicit linear kernels for some families of problems whose solutions can be certified by a subset of vertices. In this article we enhance our framework to deal with packing problems, that is, problems whose solutions can be certified by collections of subgraphs of the input graph satisfying certain properties. ${\mathcal F}$-Packing is a typical example: for a family ${\mathcal F}$ of connected graphs that we assume to contain at least one planar graph, the task is to decide whether a graph $G$ contains $k$ vertex-disjoint subgraphs such that each of them contains a graph in ${\mathcal F}$ as a minor. We provide explicit linear kernels on sparse graphs for the following two orthogonal generalizations of ${\mathcal F}$-Packing: for an integer $\ell \geq 1$, one aims at finding either minor-models that are pairwise at distance at least $\ell$ in $G$ ($\ell$-${\mathcal F}$-Packing), or such that each vertex in $G$ belongs to at most $\ell$ minors-models (${\mathcal F}$-Packing with $\ell$-Membership). Finally, we also provide linear kernels for the versions of these problems where one wants to pack subgraphs instead of minors., Comment: 43 pages, 4 figures

No., Comment: 11 pages

In this paper we consider a variation of a recoloring problem, called the Color-Fixing. Let us have some non-proper $r$-coloring $\varphi$ of a graph $G$. We investigate the problem of finding a proper $r$-coloring of $G$, which is "the most similar" to $\varphi$, i.e. the number $k$ of vertices that have to be recolored is minimum possible. We observe that the problem is NP-complete for any $r \geq 3$, even for bipartite planar graphs. On the other hand, the problem is fixed-parameter tractable, when parameterized by the number of allowed transformations $k$. We provide an $2^n \cdot n^{\mathcal{O}(1)}$ algorithm for the problem (for any fixed $r$) and a linear algorithm for graphs with bounded treewidth. We also show several lower complexity bounds, using standard complexity assumptions. Finally, we investigate the {\em fixing number} of a graph $G$. It is the maximum possible distance (in the number of transformations) between some non-proper coloring of $G$ and a proper one., Comment: An extended abstract of this paper was presented on the conference SOFSEM 2015

We unveil the existence of a non-trivial Berry phase associated to the dynamics of a quantum particle in a one dimensional box with moving walls. It is shown that a suitable choice of boundary conditions has to be made in order to preserve unitarity. For these boundary conditions we compute explicitly the geometric phase two-form on the parameter space. The unboundedness of the Hamiltonian describing the system leads to a natural prescription of renormalization for divergent contributions arising from the boundary., Comment: 16 pages, 5 figures

In the Red-Blue Dominating Set problem, we are given a bipartite graph $G = (V_B \cup V_R,E)$ and an integer $k$, and asked whether $G$ has a subset $D \subseteq V_B$ of at most $k$ "blue" vertices such that each "red" vertex from $V_R$ is adjacent to a vertex in $D$. We provide the first explicit linear kernel for this problem on planar graphs, of size at most $43k$., Comment: 20 pages, 5 figures

Several algorithmic meta-theorems on kernelization have appeared in the last years, starting with the result of Bodlaender et al. [FOCS 2009] on graphs of bounded genus, then generalized by Fomin et al. [SODA 2010] to graphs excluding a fixed minor, and by Kim et al. [ICALP 2013] to graphs excluding a fixed topological minor. Typically, these results guarantee the existence of linear or polynomial kernels on sparse graph classes for problems satisfying some generic conditions but, mainly due to their generality, it is not clear how to derive from them constructive kernels with explicit constants. In this paper we make a step toward a fully constructive meta-kernelization theory on sparse graphs. Our approach is based on a more explicit protrusion replacement machinery that, instead of expressibility in CMSO logic, uses dynamic programming, which allows us to find an explicit upper bound on the size of the derived kernels. We demonstrate the usefulness of our techniques by providing the first explicit linear kernels for $r$-Dominating Set and $r$-Scattered Set on apex-minor-free graphs, and for Planar-\mathcal{F}-Deletion on graphs excluding a fixed (topological) minor in the case where all the graphs in \mathcal{F} are connected., Comment: 32 pages

A total dominating set of a graph $G=(V,E)$ is a subset $D \subseteq V$ such that every vertex in $V$ is adjacent to some vertex in $D$. Finding a total dominating set of minimum size is NP-hard on planar graphs and W[2]-complete on general graphs when parameterized by the solution size. By the meta-theorem of Bodlaender et al. [J. ACM, 2016], there exists a linear kernel for Total Dominating Set on graphs of bounded genus. Nevertheless, it is not clear how such a kernel can be effectively constructed, and how to obtain explicit reduction rules with reasonably small constants. Following the approach of Alber et al. [J. ACM, 2004], we provide an explicit kernel for Total Dominating Set on planar graphs with at most $410k$ vertices, where $k$ is the size of the solution. This result complements several known constructive linear kernels on planar graphs for other domination problems such as Dominating Set, Edge Dominating Set, Efficient Dominating Set, Connected Dominating Set, or Red-Blue Dominating Set., Comment: 33 pages, 13 figures