The Five Femtosecond Time Step Barrier

Author(s):  
Robert D. Skeel ◽  
Jesús A. Izaguirre
Keyword(s):  
Author(s):  
C. S. Potter ◽  
C. D. Gregory ◽  
H. D. Morris ◽  
Z.-P. Liang ◽  
P. C. Lauterbur

Over the past few years, several laboratories have demonstrated that changes in local neuronal activity associated with human brain function can be detected by magnetic resonance imaging and spectroscopy. Using these methods, the effects of sensory and motor stimulation have been observed and cognitive studies have begun. These new methods promise to make possible even more rapid and extensive studies of brain organization and responses than those now in use, such as positron emission tomography.Human brain studies are enormously complex. Signal changes on the order of a few percent must be detected against the background of the complex 3D anatomy of the human brain. Today, most functional MR experiments are performed using several 2D slice images acquired at each time step or stimulation condition of the experimental protocol. It is generally believed that true 3D experiments must be performed for many cognitive experiments. To provide adequate resolution, this requires that data must be acquired faster and/or more efficiently to support 3D functional analysis.


2000 ◽  
Vol 653 ◽  
Author(s):  
Celeste Sagui ◽  
Thoma Darden

AbstractFixed and induced point dipoles have been implemented in the Ewald and Particle-Mesh Ewald (PME) formalisms. During molecular dynamics (MD) the induced dipoles can be propagated along with the atomic positions either by interation to self-consistency at each time step, or by a Car-Parrinello (CP) technique using an extended Lagrangian formalism. The use of PME for electrostatics of fixed charges and induced dipoles together with a CP treatment of dipole propagation in MD simulations leads to a cost overhead of only 33% above that of MD simulations using standard PME with fixed charges, allowing the study of polarizability in largemacromolecular systems.


Author(s):  
Ritesh Noothigattu ◽  
Djallel Bouneffouf ◽  
Nicholas Mattei ◽  
Rachita Chandra ◽  
Piyush Madan ◽  
...  

Autonomous cyber-physical agents play an increasingly large role in our lives. To ensure that they behave in ways aligned with the values of society, we must develop techniques that allow these agents to not only maximize their reward in an environment, but also to learn and follow the implicit constraints of society. We detail a novel approach that uses inverse reinforcement learning to learn a set of unspecified constraints from demonstrations and reinforcement learning to learn to maximize environmental rewards. A contextual bandit-based orchestrator then picks between the two policies: constraint-based and environment reward-based. The contextual bandit orchestrator allows the agent to mix policies in novel ways, taking the best actions from either a reward-maximizing or constrained policy. In addition, the orchestrator is transparent on which policy is being employed at each time step. We test our algorithms using Pac-Man and show that the agent is able to learn to act optimally, act within the demonstrated constraints, and mix these two functions in complex ways.


2019 ◽  
Vol 13 (2) ◽  
pp. 36-51 ◽  
Author(s):  
O. M. Makarieva ◽  
N. V. Nesterova ◽  
G. P. Yampolsky ◽  
E. Y. Kudymova

Abstract: the article presents the results of application of distributed deterministic hydrological model Hydrograph for estimation of maximum discharge values of different frequency at the ungauged catchment of the Khemchik River (Khemchik village, Tuva Republic). The catchment area is 1750 km2 , the average and maximum elevation — 2200 and 3600 m, respectively. Due to the lack of detailed information, a schematization of the catchment and the parameterization of the model are proposed, based on general ideas about the water balance and the processes of runoff formation of the main landscapes — rocky talus, coniferous forest and steppe. Parameters and algorithms are verified based on the results of streamflow modeling at two studied catchments: the Tapsy River — Kara-Khol (302 km2 ) and the Khemchik River — Iyme (25500 km2 ). Modelling of runoff formation processes with daily time step for the Khemchik River — Khemchik village was conducted for the period 1966–2012 using observational data at Teeli meteorological station. For the transition from daily to instant discharges, the dependence of the observed values of instant and daily streamflow at the studied gauges has been applied. On the basis of simulated discharge series, the frequency curve was built and the obtained curve was compared with the calculation data according to the standard methodology SP 33-101-2003 “Determination of the main calculated hydrological characteristics” using the analogue river. Simulated maximum instant discharges for entire frequency interval of up to 1% are 1.3–5 times higher than the values obtained by standard methodology SP 33-101-2003. The results of model calculations is indirectly confirmed by the evidences of regular flooding of the Khemchik village provided by the Ministry of Emergency Situations of the Tuva Republic, which is not predicted by the values obtained by the standard methods.


1994 ◽  
Vol 29 (1-2) ◽  
pp. 53-61
Author(s):  
Ben Chie Yen

Urban drainage models utilize hydraulics of different levels. Developing or selecting a model appropriate to a particular project is not an easy task. Not knowing the hydraulic principles and numerical techniques used in an existing model, users often misuse and abuse the model. Hydraulically, the use of the Saint-Venant equations is not always necessary. In many cases the kinematic wave equation is inadequate because of the backwater effect, whereas in designing sewers, often Manning's formula is adequate. The flow travel time provides a guide in selecting the computational time step At, which in turn, together with flow unsteadiness, helps in the selection of steady or unsteady flow routing. Often the noninertia model is the appropriate model for unsteady flow routing, whereas delivery curves are very useful for stepwise steady nonuniform flow routing and for determination of channel capacity.


Water ◽  
2020 ◽  
Vol 12 (6) ◽  
pp. 1639
Author(s):  
Abdelkrim Aharmouch ◽  
Brahim Amaziane ◽  
Mustapha El Ossmani ◽  
Khadija Talali

We present a numerical framework for efficiently simulating seawater flow in coastal aquifers using a finite volume method. The mathematical model consists of coupled and nonlinear partial differential equations. Difficulties arise from the nonlinear structure of the system and the complexity of natural fields, which results in complex aquifer geometries and heterogeneity in the hydraulic parameters. When numerically solving such a model, due to the mentioned feature, attempts to explicitly perform the time integration result in an excessively restricted stability condition on time step. An implicit method, which calculates the flow dynamics at each time step, is needed to overcome the stability problem of the time integration and mass conservation. A fully implicit finite volume scheme is developed to discretize the coupled system that allows the use of much longer time steps than explicit schemes. We have developed and implemented this scheme in a new module in the context of the open source platform DuMu X . The accuracy and effectiveness of this new module are demonstrated through numerical investigation for simulating the displacement of the sharp interface between saltwater and freshwater in groundwater flow. Lastly, numerical results of a realistic test case are presented to prove the efficiency and the performance of the method.


2021 ◽  
Vol 9 (8) ◽  
pp. 835
Author(s):  
Mochamad Riam Badriana ◽  
Han Soo Lee

For decades, the western North Pacific (WNP) has been commonly indicated as a region with high vulnerability to oceanic and atmospheric hazards. This phenomenon can be observed through general circulation model (GCM) output from the Coupled Model Intercomparison Project (CMIP). The CMIP consists of a collection of ensemble data as well as marine surface winds for the projection of the wave climate. Wave climate projections based on the CMIP dataset are necessary for ocean studies, marine forecasts, and coastal development over the WNP region. Numerous studies with earlier phases of CMIP are abundant, but studies using CMIP6 as the recent dataset for wave projection is still limited. Thus, in this study, wave climate projections with WAVEWATCH III are conducted to investigate how wave characteristics in the WNP will have changed in 2050 and 2100 compared to those in 2000 with atmospheric forcings from CMIP6 marine surface winds. The wave model runs with a 0.5° × 0.5° spatial resolution in spherical coordinates and a 10-min time step. A total of eight GCMs from the CMIP6 dataset are used for the marine surface winds modelled over 3 hours for 2050 and 2100. The simulated average wave characteristics for 2000 are validated with the ERA5 Reanalysis wave data showing good consistency. The wave characteristics in 2050 and 2100 show that significant decreases in wave height, a clockwise shift in wave direction, and the mean wave period becomes shorter relative to those in 2000.


2021 ◽  
Vol 13 (2) ◽  
pp. 22
Author(s):  
Xavier Boulet ◽  
Mahdi Zargayouna ◽  
Gérard Scemama ◽  
Fabien Leurent

Modeling and simulation play an important role in transportation networks analysis. In the literature, authors have proposed many traffic and mobility simulations, with different features and corresponding to different contexts and objectives. They notably consider different scales of simulations. The scales refer to the represented entities, as well as to the space and the time representation of the transportation environment. However, we often need to represent different scales in the same simulation, for instance to represent a neighborhood interacting with a wider region. In this paper, we advocate for the reuse of existing simulations to build a new multi-scale simulation. To do so, we propose a middleware model to couple independent mobility simulations, working at different scales. We consider all the necessary processing and workflow to allow for a coherent orchestration of these simulations. We also propose a prototype implementation of the middleware. The results show that such a middleware is capable of creating a new multi-scale mobility simulation from existing ones, while minimizing the incoherence between them. They also suggest that, to have a maximal benefit from the middleware, existing mobility simulation platforms should allow for an external control of the simulations, allowing for executing a time step several times if necessary.


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