Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

Natural gas hydrates are solid, non-stoichiometric compounds of small gas molecules and water. They form when the constituents come into contact at low temperature and high pressure. The physical properties of these compounds, most notably that they are non-flowing crystalline solids that are denser than typical fluid hydrocarbons and that the gas molecules they contain are effectively compressed, give rise to numerous applications in the broad areas of energy and climate effects. In particular, they have an important bearing on flow assurance and safety issues in oil and gas pipelines, they offer a largely unexploited means of energy recovery and transportation, and they could play a significant role in past and future climate change.

Fundamental principles and applications of natural gas hydrates

This chapter assesses long-term projections of climate change for the end of the 21st century and beyond, where the forced signal depends on the scenario and is typically larger than the internal variability of the climate system. Changes are expressed with respect to a baseline period of 1986-2005, unless otherwise stated.

Chapter 12 - Long-term climate change: Projections, commitments and irreversibility

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A User’s Guide

\n Unconventional tight reservoirs that are typically characterized by low permeability and low porosity have contributed significantly to the global hydrocarbon production in recent years. Although hydraulic fracturing, along with horizontal well drilling, enables the economic development of such reservoirs, the production rate often declines sharply and results in low primary hydrocarbon recovery. The application of enhanced-oil-recovery (EOR) techniques in tight reservoirs has received much interest. In this study, the feasibility and efficiency of interfracture water injection to enhance oil recovery in multistage fractured tight oil reservoirs are analyzed through an efficient coupled flow/geomechanics model with an embedded discrete-fracture model (EDFM).\n A combined finite-volume/finite-element scheme is used to discretize the governing equations for flow and geomechanics, and the coupled problem is solved sequentially using a fixed-stress splitting algorithm. A basic numerical model consisting of a 15-stage fractured horizontal well is constructed using the petrophysical and geomechanical properties of a tight oil formation in Ordos Basin, China. Fractures indexed with even numbers are switched into injecting fractures when the production rate has dropped to less than a certain threshold. The improvement of oil recovery is analyzed by comparing the production profiles with and without water injection. In this coupled model, the fracture closure/opening during production/injection is considered according to the constitutive relations between fracture aperture and effective normal stress acting on the fracture faces. The poromechanical response of matrix is modeled by the Biot (1941) theory. The effects of fracture spacing, injection rate, and the presence of a natural-fracture network on oil-recovery enhancement are discussed through sensitivity analysis.\n The main mechanisms of interfracture water injection for enhancing oil recovery are waterflooding and reservoir-pressure maintenance. Small fracture spacing tends to reduce the oil recovery because of fracture interference and a limited drainage area; therefore, the primary depletion stage is shortened as the fracture spacing is reduced. The influence of interfracture water injection is more pronounced with smaller fracture spacing because the pressure-transient responses near the producing fractures are more dramatic considering the close proximity between the injecting fracture and the producing fracture. Although a higher injection rate results in higher oil recovery, the injectivity in low-permeability reservoirs limits the maximum-allowable injection rate. When secondary (natural)-fracture networks are considered, neighboring hydraulic fractures can be connected to one another via the secondary fractures, particularly if the interfracture spacing is small. Water can break through in the producing fractures quickly, which could also lead to high water cut and suboptimal oil-recovery performance.\n This study tests the feasibility and efficiency of interfracture injection to enhance tight oil recovery. The results indicate that interfracture injection can be a promising EOR technique for tight oil reservoirs, which sheds lights on future completion strategies and production design in tight reservoirs.

Coupled Flow/Geomechanics Modeling of Interfracture Water Injection To Enhance Oil Recovery in Tight Reservoirs

Gas Production from Unconfined Class 2 Oceanic Hydrate Accumulations

Numerical tools are essential for the prediction and evaluation of conventional hydrocarbon reservoir performance. Gas hydrates represent a vast natural resource with a significant energy potential. The numerical codes/tools describing processes involved during the dissociation (induced by several methods) for gas production from hydrates are powerful, but they need validation by comparison to empirical data to instill confidence in their predictions. In this study, we successfully reproduce experimental data of hydrate dissociation using the TOUGH+HYDRATE (T+H) code. Methane (CH4) hydrate growth and dissociation in partially water- and gas-saturated Bentheim sandstone were spatially resolved using Magnetic Resonance Imaging (MRI), which allows the in situ monitoring of saturation and phase transitions. All the CH4 that had been initially converted to gas hydrate was recovered during depressurization. The physical system was reproduced numerically, using both a simplified 2D model and a 3D grid involving ...

/pdf/numerical-predictions-of-experimentally-observed-methane-4ad4wy673v.pdf

Numerical Predictions of Experimentally Observed Methane Hydrate Dissociation and Reformation in Sandstone

https://escholarship.org/content/qt9h64n97p/qt9h64n97p.pdf?t=p0fvan

Investigation of Possible Wellbore Cement Failures During Hydraulic Fracturing Operations

We investigate the productivity and product selectivity of diverse thermal in situ upgrading processes in oil shale reservoirs. In situ upgrading processes applying the ideas of Shell In situ Conve...

https://journals.sagepub.com/doi/pdf/10.1177/0144598716689354

George J. Moridis

Papers

Coupled Flow/Geomechanics Modeling of Interfracture Water Injection To Enhance Oil Recovery in Tight Reservoirs

Gas Production from Unconfined Class 2 Oceanic Hydrate Accumulations

Numerical Predictions of Experimentally Observed Methane Hydrate Dissociation and Reformation in Sandstone

Investigation of Possible Wellbore Cement Failures During Hydraulic Fracturing Operations

Numerical simulation of diverse thermal in situ upgrading processes for the hydrocarbon production from kerogen in oil shale reservoirs