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 Low-frequency distributed-acoustic-sensing (LF-DAS) strain data are direct measurements of in-situ rock deformation during hydraulic-fracturing treatments. In addition to monitoring fracture propagation and identifying fracture hits, quantitative strain measurements of LF-DAS provide opportunities to quantify fracture geometries. Recently, we proposed a Green’s function–based algorithm for the inversion of LF-DAS strain data (Liu et al. 2020b) that shows an accurate estimation of fracture width near the monitor well with single-cluster completions. However, multicluster completions with tighter cluster spacings are more commonly adopted in recent completion designs. One main challenge in the inversion of LF-DAS strain data under such circumstances is that strain measurements at fracture-hit locations by LF-DAS are not reliable, which makes the individual contribution of each fracture to the measured strain data indistinguishable.\n In this study, we first extended the inversion algorithm to handle multiple fractures, investigated the uncertainties of the inversion results, and proposed possible mitigation to the challenges raised by completion designs and field data acquisition through a synthetic case study. Ideally, there are available data on both sides of each fracture so that the inverted width of each fracture can be obtained with a negligible error. In reality, the strain data are usually limited, providing less constraint on the width of individual fracture. Nevertheless, the inversion results provide an accurate estimation of the width summation of all fractures. To evaluate the individual fracture width, a time-dependent constraint is added to the inversion algorithm. We assume that the width at the current timestep is dependent on the width at the previous step and the width variation between the two timesteps. The width variation can be roughly estimated from LF-DASstrain-rate data at the fracture-hit location. This extra constraint helps to improve the inversion performance. Finally, a field example is presented. We show the width summation of all fractures and the width of each individual fracture as a function of treatment time. The time-dependent width profiles show consistent trends with the LF-DASstrain-rate data. The calculated strains from the inverted model match well with the LF-DAS measured strain data. The findings demonstrate the potential of LF-DAS data for quantitative hydraulic-fracture characterization and provide insights on better use of LF-DAS data. The direct information on fracture width helps to calibrate fracturing models and optimize the completion designs.

Hydraulic-Fracture-Width Inversion Using Low-Frequency Distributed-Acoustic-Sensing Strain Data Part II: Extension for Multifracture and Field Application

Numerical Investigation of Gas Production Strategy for the Hydrate Deposits in the Shenhu Area

The relative permeability to fluids in hydrate-bearing sediments is an important parameter for predicting natural gas production from gas hydrate reservoirs. We estimated the relative permeability parameters (van Genuchten alpha and m) in a hydrate-bearing sand by means of inverse modeling, which involved matching water saturation predictions with observations from a controlled waterflood experiment. We used x-ray computed tomography (CT) scanning to determine both the porosity and the hydrate and aqueous phase saturation distributions in the samples. X-ray CT images showed that hydrate and aqueous phase saturations are non-uniform, and that water flow focuses in regions of lower hydrate saturation. The relative permeability parameters were estimated at two locations in each sample. Differences between the estimated parameter sets at the two locations were attributed to heterogeneity in the hydrate saturation. Better estimates of the relative permeability parameters require further refinement of the experimental design, and better description of heterogeneity in the numerical inversions.

/pdf/preliminary-relative-permeability-estimates-of-7im9knokk1.pdf

Preliminary relative permeability estimates of methanehydrate-bearing sand

https://escholarship.org/content/qt7n1750x3/qt7n1750x3.pdf?t=qhjarm

George J. Moridis

Papers

Hydraulic-Fracture-Width Inversion Using Low-Frequency Distributed-Acoustic-Sensing Strain Data Part II: Extension for Multifracture and Field Application

Numerical Investigation of Gas Production Strategy for the Hydrate Deposits in the Shenhu Area

Preliminary relative permeability estimates of methanehydrate-bearing sand

Integrated simulation of vertical fracture propagation induced by water injection and its borehole electromagnetic responses in shale gas systems

Oil Shale In-Situ Upgrading by Steam Flowing in Vertical Hydraulic Fractures