Pursuit on a Graph Using Partial Information

The optimal control of a "blind" pursuer searching for an evader moving on a road network and heading at a known speed toward a set of goal vertices is considered. To aid the "blind" pursuer, certain roads in the network have been instrumented with Unattended Ground Sensors (UGSs) that detect the evader's passage. When the pursuer arrives at an instrumented node, the UGS therein informs the pursuer if and when the evader visited the node. The pursuer's motion is not restricted to the road network. In addition, the pursuer can choose to wait/loiter for an arbitrary time at any UGS location/node. At time 0, the evader passes by an entry node on his way towards one of the exit nodes. The pursuer also arrives at this entry node after some delay and is thus informed about the presence of the intruder/evader in the network, whereupon the chase is on - the pursuer is tasked with capturing the evader. Because the pursuer is "blind", capture entails the pursuer and evader being collocated at an UGS location. If this happens, the UGS is triggered and this information is instantaneously relayed to the pursuer, thereby enabling capture. On the other hand, if the evader reaches one of the exit nodes without being captured, he is deemed to have escaped. We provide an algorithm that computes the maximum initial delay at the entry node for which capture is guaranteed. The algorithm also returns the corresponding optimal pursuit policy

A simple solvable energy landscape model that shows a thermodynamic phase transition and a glass transition

When a liquid melt is cooled, a glass or phase transition can be obtained depending on the cooling rate. Yet, this behavior has not been clearly captured in energy landscape models. Here a model is provided in which two key ingredients are considered based in the landscape, metastable states and their multiplicity. Metastable states are considered as in two level system models. However, their multiplicity and topology allows a phase transition in the thermodynamic limit, while a transition to the glass is obtained for fast cooling. By solving the corresponding master equation, the minimal speed of cooling required to produce the glass is obtained as a function of the distribution of metastable and stable states. This allows to understand cooling trends due to rigidity considerations in chalcogenide glasses.Comment: 4 pages (letter), 2 figure

An integral equation method for a boundary value problem arising in unsteady water wave problems

In this paper we consider the 2D Dirichlet boundary value problem for Laplace’s equation in a non-locally perturbed half-plane, with data in the space of bounded and continuous functions. We show uniqueness of solution, using standard Phragmen-Lindelof arguments. The main result is to propose a boundary integral equation formulation, to prove equivalence with the boundary value problem, and to show that the integral equation is well posed by applying a recent partial generalisation of the Fredholm alternative in Arens et al [J. Int. Equ. Appl. 15 (2003) pp. 1-35]. This then leads to an existence proof for the boundary value problem. Keywords. Boundary integral equation method, Water waves, Laplace’

Molecular packing and chemical association in liquid water simulated using ab initio hybrid Monte Carlo and different exchange-correlation functionals

In the free energy of hydration of a solute, the chemical contribution is given by the free energy required to expel water molecules from the coordination sphere and the packing contribution is given by the free energy required to create the solute-free coordination sphere (the observation volume) in bulk water. With the SPC/E water model as a reference, we examine the chemical and packing contributions in the free energy of water simulated using different electron density functionals. The density is fixed at a value corresponding to that for SPC/E water at a pressure of 1 bar. The chemical contribution shows that water simulated at 300 K with BLYP is somewhat more tightly bound than water simulated at 300 K with the revPBE functional or at 350 K with the BLYP and BLYP-D functionals. The packing contribution for various radii of the observation volume is studied. In the size range where the distribution of water molecules in the observation volume is expected to be Gaussian, the packing contribution is expected to scale with the volume of the observation sphere. Water simulated at 300 K with the revPBE and at 350 K with BLYP-D or BLYP conforms to this expectation, but the results suggest an earlier onset of system size effects in the BLYP 350 K and revPBE 300 K systems than that observed for either BLYP-D 350 K or SPC/E. The implication of this observation for constant pressure simulations is indicated. For water simulated at 300 K with BLYP, in the size range where Gaussian distribution of occupation is expected, we instead find non-Gaussian behavior, and the packing contribution scales with surface area of the observation volume, suggesting the presence of heterogeneities in the system

Water exchange at a hydrated platinum electrode is rare and collective

We use molecular dynamics simulations to study the exchange kinetics of water molecules at a model metal electrode surface -- exchange between water molecules in the bulk liquid and water molecules bound to the metal. This process is a rare event, with a mean residence time of a bound water of about 40 ns for the model we consider. With analysis borrowed from the techniques of rare-event sampling, we show how this exchange or desorption is controlled by (1) reorganization of the hydrogen bond network within the adlayer of bound water molecules, and by (2) interfacial density fluctuations of the bulk liquid adjacent to the adlayer. We define collective coordinates that describe the desorption mechanism. Spatial and temporal correlations associated with a single event extend over nanometers and tens of picoseconds.Comment: 10 pages, 9 figure

Time scale for the onset of Fickian diffusion in supercooled liquids

We propose a quantitative measure of a time scale on which Fickian diffusion sets in for supercooled liquids and use Brownian Dynamics computer simulations to determine the temperature dependence of this onset time in a Lennard-Jones binary mixture. The time for the onset of Fickian diffusion ranges between 6.5 and 31 times the $\alpha$ relaxation time (the $\alpha$ relaxation time is the characteristic relaxation time of the incoherent intermediate scattering function). The onset time increases faster with decreasing temperature than the $\alpha$ relaxation time. Mean squared displacement at the onset time increases with decreasing temperature

Thermodynamics of Quantum Jump Trajectories

We apply the large-deviation method to study trajectories in dissipative quantum systems. We show that in the long time limit the statistics of quantum jumps can be understood from thermodynamic arguments by exploiting the analogy between large-deviation and free-energy functions. This approach is particularly useful for uncovering properties of rare dissipative trajectories. We also prove, via an explicit quantum mapping, that rare trajectories of one system can be realized as typical trajectories of an alternative system.Comment: 5 pages, 3 figure

Dynamics on the Way to Forming Glass: Bubbles in Space-time

We review a theoretical perspective of the dynamics of glass forming liquids and the glass transition. It is a perspective we have developed with our collaborators during this decade. It is based upon the structure of trajectory space. This structure emerges from spatial correlations of dynamics that appear in disordered systems as they approach non-ergodic or jammed states. It is characterized in terms of dynamical heterogeneity, facilitation and excitation lines. These features are associated with a newly discovered class of non-equilibrium phase transitions. Equilibrium properties have little if anything to do with it. The broken symmetries of these transitions are obscure or absent in spatial structures, but they are vivid in space-time (i.e., trajectory space). In our view, the glass transition is an example of this class of transitions. The basic ideas and principles we review were originally developed through the analysis of idealized and abstract models. Nevertheless, the central ideas are easily illustrated with reference to molecular dynamics of more realistic atomistic models, and we use that illustrative approach here.Comment: 21 pages, 8 figures. Submitted to Annu. Rev. Phys. Che

Finite-temperature critical point of a glass transition

We generalize the simplest kinetically constrained model of a glass-forming liquid by softening kinetic constraints, allowing them to be violated with a small finite rate. We demonstrate that this model supports a first-order dynamical (space-time) phase transition, similar to those observed with hard constraints. In addition, we find that the first-order phase boundary in this softened model ends in a finite-temperature dynamical critical point, which we expect to be present in natural systems. We discuss links between this critical point and quantum phase transitions, showing that dynamical phase transitions in $d$ dimensions map to quantum transitions in the same dimension, and hence to classical thermodynamic phase transitions in $d+1$ dimensions. We make these links explicit through exact mappings between master operators, transfer matrices, and Hamiltonians for quantum spin chains.Comment: 10 pages, 5 figure

Spin-torque switching: Fokker-Planck rate calculation

We describe a new approach to understanding and calculating magnetization switching rates and noise in the recently observed phenomenon of "spin-torque switching". In this phenomenon, which has possible applications to information storage, a large current passing from a pinned ferromagnetic (FM) layer to a free FM layer switches the free layer. Our main result is that the spin-torque effect increases the Arrhenius factor $\exp(-E/kT)$ in the switching rate, not by lowering the barrier $E$, but by raising the effective spin temperature $T$. To calculate this effect quantitatively, we extend Kramers' 1940 treatment of reaction rates, deriving and solving a Fokker-Planck equation for the energy distribution including a current-induced spin torque of the Slonczewski type. This method can be used to calculate slow switching rates without long-time simulations; in this Letter we calculate rates for telegraph noise that are in good qualitative agreement with recent experiments. The method also allows the calculation of current-induced magnetic noise in CPP (current perpendicular to plane) spin valve read heads.Comment: 11 pages, 8 figures, 1 appendix Original version in Nature format, replaced by Phys. Rev. Letters format. No substantive change