Density functional theory for hard-sphere mixtures: the White-Bear version Mark II

In the spirit of the White-Bear version of fundamental measure theory we derive a new density functional for hard-sphere mixtures which is based on a recent mixture extension of the Carnahan-Starling equation of state. In addition to the capability to predict inhomogeneous density distributions very accurately, like the original White-Bear version, the new functional improves upon consistency with an exact scaled-particle theory relation in the case of the pure fluid. We examine consistency in detail within the context of morphological thermodynamics. Interestingly, for the pure fluid the degree of consistency of the new version is not only higher than for the original White-Bear version but also higher than for Rosenfeld's original fundamental measure theory.Comment: 16 pages, 3 figures; minor changes; J. Phys.: Condens. Matter, accepte

Preferential attachment during the evolution of a potential energy landscape

It has previously been shown that the network of connected minima on a potential energy landscape is scale-free, and that this reflects a power-law distribution for the areas of the basins of attraction surrounding the minima. Here, we set out to understand more about the physical origins of these puzzling properties by examining how the potential energy landscape of a 13-atom cluster evolves with the range of the potential. In particular, on decreasing the range of the potential the number of stationary points increases and thus the landscape becomes rougher and the network gets larger. Thus, we are able to follow the evolution of the potential energy landscape from one with just a single minimum to a complex landscape with many minima and a scale-free pattern of connections. We find that during this growth process, new edges in the network of connected minima preferentially attach to more highly-connected minima, thus leading to the scale-free character. Furthermore, minima that appear when the range of the potential is shorter and the network is larger have smaller basins of attraction. As there are many of these smaller basins because the network grows exponentially, the observed growth process thus also gives rise to a power-law distribution for the hyperareas of the basins.Comment: 10 pages, 10 figure

Paired and altruistic kidney donation in the UK: algorithms and experimentation

We study the computational problem of identifying optimal sets of kidney exchanges in the UK. We show how to expand an integer programming-based formulation [1, 19] in order to model the criteria that constitute the UK definition of optimality. The software arising from this work has been used by the National Health Service Blood and Transplant to find optimal sets of kidney exchanges for their National Living Donor Kidney Sharing Schemes since July 2008.We report on the characteristics of the solutions that have been obtained in matching runs of the scheme since this time. We then present empirical results arising from the real datasets that stem from these matching runs, with the aim of establishing the extent to which the particular optimality criteria that are present in the UK influence the structure of the solutions that are ultimately computed. A key observation is that allowing 4-way exchanges would be likely to lead to a significant number of additional transplants

Matrix Elements and Few-Body Calculations within the Unitary Correlation Operator Method

We employ the Unitary Correlation Operator Method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction, and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges.Comment: 16 pages, 9 figures, using REVTEX

Permafrost - physical aspects and carbon cycling, databases and uncertainties

Permafrost is defined as ground that remains below 0°C for at least 2 consecutive years. About 24% of the northern hemisphere land area is underlain by permafrost. The thawing of permafrost has the potential to influence the climate system through the release of carbon (C) from northern high latitude terrestrial ecosystems, but there is substantial uncertainty about the sensitivity of the C cycle to thawing permafrost. Soil C can be mobilized from permafrost in response to changes in air temperature, directional changes in water balance, fire, thermokarst, and flooding. Observation networks need to be implemented to understand responses of permafrost and C at a range of temporal and spatial scales. The understanding gained from these observation networks needs to be integrated into modeling frameworks capable of representing how the responses of permafrost C will influence the trajectory of climate in the future

Stable marriage and roommates problems with restricted edges: complexity and approximability

In the Stable Marriage and Roommates problems, a set of agents is given, each of them having a strictly ordered preference list over some or all of the other agents. A matching is a set of disjoint pairs of mutually acceptable agents. If any two agents mutually prefer each other to their partner, then they block the matching, otherwise, the matching is said to be stable. We investigate the complexity of finding a solution satisfying additional constraints on restricted pairs of agents. Restricted pairs can be either forced or forbidden. A stable solution must contain all of the forced pairs, while it must contain none of the forbidden pairs. Dias et al. (2003) gave a polynomial-time algorithm to decide whether such a solution exists in the presence of restricted edges. If the answer is no, one might look for a solution close to optimal. Since optimality in this context means that the matching is stable and satisfies all constraints on restricted pairs, there are two ways of relaxing the constraints by permitting a solution to: (1) be blocked by as few as possible pairs, or (2) violate as few as possible constraints n restricted pairs. Our main theorems prove that for the (bipartite) Stable Marriage problem, case (1) leads to View the MathML source-hardness and inapproximability results, whilst case (2) can be solved in polynomial time. For non-bipartite Stable Roommates instances, case (2) yields an View the MathML source-hard but (under some cardinality assumptions) 2-approximable problem. In the case of View the MathML source-hard problems, we also discuss polynomially solvable special cases, arising from restrictions on the lengths of the preference lists, or upper bounds on the numbers of restricted pairs

Estimating field-scale soil water dynamics at a heterogeneous site using multi-channel GPR

We explore the feasibility to quantify the field-scale soil water dynamics through time series of GPR (ground-penetrating radar) measurements, which bridge the gap between point measurements and field measurements. Working on a 40 m × 50 m area in a heterogeneous agricultural field, we obtain a time series of radargrams after a heavy rainfall event. The data are analysed to simultaneously yield (i) a three-dimensional representation of the subsurface architecture and (ii) the total soil water volume between the surface and a reflection boundary associated with the presence of paleo sand dunes or clay inclusions in a rather uniform sand matrix. We assess the precision and the accuracy of these quantities and conclude that the method is sensitive enough to capture the spatial structure of the changing soil water content in a three-dimensional heterogeneous soil during a short-duration infiltration event. While the sensitivity of the method needs to be improved, it already produced useful information to understand the observed patterns in crop height and it yielded insight into the dynamics of soil water content at this site including the effect of evaporation

Electromechanical Reliability Testing of Three-Axial Silicon Force Sensors

This paper reports on the systematic electromechanical characterization of a new three-axial force sensor used in dimensional metrology of micro components. The siliconbased sensor system consists of piezoresistive mechanicalstress transducers integrated in thin membrane hinges supporting a suspended flexible cross structure. The mechanical behavior of the fragile micromechanical structure isanalyzed for both static and dynamic load cases. This work demonstrates that the silicon microstructure withstands static forces of 1.16N applied orthogonally to the front-side of the structure. A statistical Weibull analysis of the measured data shows that these values are significantly reduced if the normal force is applied to the back of the sensor. Improvements of the sensor system design for future development cycles are derived from the measurement results.Comment: Submitted on behalf of TIMA Editions (http://irevues.inist.fr/tima-editions

Efficient reconstruction of dispersive dielectric profiles using time domain reflectometry (TDR)

We present a numerical model for time domain reflectometry (TDR) signal propagation in dispersive dielectric materials. The numerical probe model is terminated with a parallel circuit, consisting of an ohmic resistor and an ideal capacitance. We derive analytical approximations for the capacitance, the inductance and the conductance of three-wire probes. We couple the time domain model with global optimization in order to reconstruct water content profiles from TDR traces. For efficiently solving the inverse problem we use genetic algorithms combined with a hierarchical parameterization. We investigate the performance of the method by reconstructing synthetically generated profiles. The algorithm is then applied to retrieve dielectric profiles from TDR traces measured in the field. We succeed in reconstructing dielectric and ohmic profiles where conventional methods, based on travel time extraction, fail