Temperature replica exchange molecular dynamics (T-REM) has been successfully used to improve the conformational search for model peptides and small proteins. However, for larger and more complicated systems, the use of T-REM is computationally intensive since the complexity of the free energy landscape and number of replicas required increase with system size. Achieving convergence of systems ...

Control of sedimentation in reservoirs of dams is considered to be one of the most important issues in exploitation of dams and increasing their useful life. Reservoirs act as traps for sediments and prevent transport of sediments to the river. The deposited sediments will decrease the capacity of the reservoirs so that they cannot be in use any more. Various methods are discussed in this study...

1. Background and purpose Recently we have studied a model [1] of lightinduced proton and electron pump in artificial reaction centers. The model contains a molecular triad, which is inserted between two (either proton or electron) reservoirs. The molecular triad transports protons (mediated by a shuttle) and electrons energetically uphill: from the lower energy reservoir to the higher energy r...

Abstract Assessments of aquifer storage capacity and security have generally assumed that reservoir engineering would be limited to site selection and placement of the injection wells. In previous work we have shown that it is possible to accelerate the dissolution of CO2 in brines by active reservoir engineering achieved by pumping brines from regions where it is undersaturated into regions oc...

The main challenge facing the oil industry is to reduce development costs while accelerating recovery with maximizing reserves. One of the key enabling technologies in this area is intelligent well completions. Intelligent well technology (IWT) is a relatively new technology that has been adopted by many operators in recent years to improve oil and gas recovery. Intelligent well completions emp...

We consider the steady state of an open system in which there is a flux of matter between two reservoirs at different chemical potentials. For a large system of size N, the probability of any macroscopic density profile rho(x) is exp[-NF([rho])]; F thus generalizes to nonequilibrium systems the notion of free energy density for equilibrium systems. Our exact expression for F is a nonlocal funct...

[1] This paper presents a novel approach for modeling high-elevation hydropower systems. Conservation of energy and energy flows (rather than water volume or mass flows) is used as the basis for modeling more than 135 high-elevation high-head hydropower sites throughout California. The unusual energy basis for reservoir modeling allows for development of hydropower operations models for a large...

Understanding and controlling the mechanisms that determine the efficiency of photoelectric devices is of fundamental importance in the quest for efficient and clean sources of energy. Thermodynamically speaking, these devices are driven by the temperature difference between a hot reservoir sun, temperature Ts and a cold reservoir earth, ambient temperature T . Therefore, like any heat engine, ...

Although the hydraulic work generated by the left ventricle (LV) is not disputed, how the work was dissipated through the systemic circulation is still subject to interpretation. Recently, we proposed that the systemic circulation should be considered as waves and a reservoir system (Wk). By combining the arterial and venous reservoirs, the systemic vascular resistance can be viewed as a series...

This paper describes the investigation of a single-well enhanced geothermal system comprised of a downhole thermosiphon and a novel completion design using a downhole heat exchanger. The thermosiphon is a device that takes advantage of the gravity head difference between liquid flowing down the annulus and vapor flowing up the tubing. Without a connection to a large reservoir volume, a downhole...