1,496 research outputs found
A GPU-accelerated package for simulation of flow in nanoporous source rocks with many-body dissipative particle dynamics
Mesoscopic simulations of hydrocarbon flow in source shales are challenging,
in part due to the heterogeneous shale pores with sizes ranging from a few
nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid
and fluid-solid interactions in nano- to micro-scale shale pores, which are
physically and chemically sophisticated, must be captured. To address those
challenges, we present a GPU-accelerated package for simulation of flow in
nano- to micro-pore networks with a many-body dissipative particle dynamics
(mDPD) mesoscale model. Based on a fully distributed parallel paradigm, the
code offloads all intensive workloads on GPUs. Other advancements, such as
smart particle packing and no-slip boundary condition in complex pore
geometries, are also implemented for the construction and the simulation of the
realistic shale pores from 3D nanometer-resolution stack images. Our code is
validated for accuracy and compared against the CPU counterpart for speedup. In
our benchmark tests, the code delivers nearly perfect strong scaling and weak
scaling (with up to 512 million particles) on up to 512 K20X GPUs on Oak Ridge
National Laboratory's (ORNL) Titan supercomputer. Moreover, a single-GPU
benchmark on ORNL's SummitDev and IBM's AC922 suggests that the host-to-device
NVLink can boost performance over PCIe by a remarkable 40\%. Lastly, we
demonstrate, through a flow simulation in realistic shale pores, that the CPU
counterpart requires 840 Power9 cores to rival the performance delivered by our
package with four V100 GPUs on ORNL's Summit architecture. This simulation
package enables quick-turnaround and high-throughput mesoscopic numerical
simulations for investigating complex flow phenomena in nano- to micro-porous
rocks with realistic pore geometries
MeshfreeFlowNet: A Physics-Constrained Deep Continuous Space-Time Super-Resolution Framework
We propose MeshfreeFlowNet, a novel deep learning-based super-resolution
framework to generate continuous (grid-free) spatio-temporal solutions from the
low-resolution inputs. While being computationally efficient, MeshfreeFlowNet
accurately recovers the fine-scale quantities of interest. MeshfreeFlowNet
allows for: (i) the output to be sampled at all spatio-temporal resolutions,
(ii) a set of Partial Differential Equation (PDE) constraints to be imposed,
and (iii) training on fixed-size inputs on arbitrarily sized spatio-temporal
domains owing to its fully convolutional encoder. We empirically study the
performance of MeshfreeFlowNet on the task of super-resolution of turbulent
flows in the Rayleigh-Benard convection problem. Across a diverse set of
evaluation metrics, we show that MeshfreeFlowNet significantly outperforms
existing baselines. Furthermore, we provide a large scale implementation of
MeshfreeFlowNet and show that it efficiently scales across large clusters,
achieving 96.80% scaling efficiency on up to 128 GPUs and a training time of
less than 4 minutes.Comment: Supplementary Video: https://youtu.be/mjqwPch9gDo. Accepted to SC2
CFD-modelling of free surface flows in closed conduits
[EN] Computational fluid dynamics (CFD) is gaining an increasing importance in the field
of hydraulic engineering. This publication presents different application examples of a two-phase
approach as implemented in the open source software OpenFOAM. The chosen approach is
based on the volume of fluid method focusing on the simulation of flow in closed conduits.
Three examples are presented: single-phase flow over a ground sill and free surface flow over
a hill as well as complex free surface flow in a sewer model. The first example compares
the results of different RANS turbulence models with experimental results. The results of the
second example are compared with an analytical solution. In the last example the behaviour
of the free surface flow is compared with the results of a model test and existing simulations
using a simplified, open channel geometry for the closed conduit. For the examples analysed,
the two-phase approach provides stable and reliable resultsThe funding provided by the German Research Foundation (DFG) within the Research Training Group ‘Urban Water Interfaces’ (GRK 2032) is gratefully acknowledged.Teuber, K.; Broecker, T.; Bayón, A.; Nutzmann, G.; Hinkelmann, R. (2019). CFD-modelling of free surface flows in closed conduits. Progress in Computational Fluid Dynamics An International Journal. 19(6):368-380. http://hdl.handle.net/10251/128737S36838019
HPC-enabling technologies for high-fidelity combustion simulations
With the increase in computational power in the last decade and the forthcoming Exascale supercomputers, a new horizon in computational modelling and simulation is envisioned in combustion science. Considering the multiscale and multiphysics characteristics of turbulent reacting flows, combustion simulations are considered as one of the most computationally demanding applications running on cutting-edge supercomputers. Exascale computing opens new frontiers for the simulation of combustion systems as more realistic conditions can be achieved with high-fidelity methods. However, an efficient use of these computing architectures requires methodologies that can exploit all levels of parallelism. The efficient utilization of the next generation of supercomputers needs to be considered from a global perspective, that is, involving physical modelling and numerical methods with methodologies based on High-Performance Computing (HPC) and hardware architectures. This review introduces recent developments in numerical methods for large-eddy simulations (LES) and direct-numerical simulations (DNS) to simulate combustion systems, with focus on the computational performance and algorithmic capabilities. Due to the broad scope, a first section is devoted to describe the fundamentals of turbulent combustion, which is followed by a general description of state-of-the-art computational strategies for solving these problems. These applications require advanced HPC approaches to exploit modern supercomputers, which is addressed in the third section. The increasing complexity of new computing architectures, with tightly coupled CPUs and GPUs, as well as high levels of parallelism, requires new parallel models and algorithms exposing the required level of concurrency. Advances in terms of dynamic load balancing, vectorization, GPU acceleration and mesh adaptation have permitted to achieve highly-efficient combustion simulations with data-driven methods in HPC environments. Therefore, dedicated sections covering the use of high-order methods for reacting flows, integration of detailed chemistry and two-phase flows are addressed. Final remarks and directions of future work are given at the end.
}The research leading to these results has received funding from the European Union’s Horizon 2020 Programme under the CoEC project, grant agreement No. 952181 and the CoE RAISE project grant agreement no. 951733.Peer ReviewedPostprint (published version
Basic Research Needs for Geosciences: Facilitating 21st Century Energy Systems
Executive Summary
Serious challenges must be faced in this century as the world seeks to meet global energy needs and at the same time reduce emissions of greenhouse gases to the atmosphere. Even with a growing energy supply from alternative sources, fossil carbon resources will remain in heavy use and will generate large volumes of carbon dioxide (CO2). To reduce the atmospheric impact of this fossil energy use, it is necessary to capture and sequester a substantial fraction of the produced CO2. Subsurface geologic formations offer a potential location for long-term storage of the requisite large volumes of CO2. Nuclear energy resources could also reduce use of carbon-based fuels and CO2 generation, especially if nuclear energy capacity is greatly increased. Nuclear power generation results in spent nuclear fuel and other radioactive materials that also must be sequestered underground. Hence, regardless of technology choices, there will be major increases in the demand to store materials underground in large quantities, for long times, and with increasing efficiency and safety margins.
Rock formations are composed of complex natural materials and were not designed by nature as storage vaults. If new energy technologies are to be developed in a timely fashion while ensuring public safety, fundamental improvements are needed in our understanding of how these rock formations will perform as storage systems.
This report describes the scientific challenges associated with geologic sequestration of large volumes of carbon dioxide for hundreds of years, and also addresses the geoscientific aspects of safely storing nuclear waste materials for thousands to hundreds of thousands of years. The fundamental crosscutting challenge is to understand the properties and processes associated with complex and heterogeneous subsurface mineral assemblages comprising porous rock formations, and the equally complex fluids that may reside within and flow through those formations. The relevant physical and chemical interactions occur on spatial scales that range from those of atoms, molecules, and mineral surfaces, up to tens of kilometers, and time scales that range from picoseconds to millennia and longer. To predict with confidence the transport and fate of either CO2 or the various components of stored nuclear materials, we need to learn to better describe fundamental atomic, molecular, and biological processes, and to translate those microscale descriptions into macroscopic properties of materials and fluids. We also need fundamental advances in the ability to simulate multiscale systems as they are perturbed during sequestration activities and for very long times afterward, and to monitor those systems in real time with increasing spatial and temporal resolution. The ultimate objective is to predict accurately the performance of the subsurface fluid-rock storage systems, and to verify enough of the predicted performance with direct observations to build confidence that the systems will meet their design targets as well as environmental protection goals.
The report summarizes the results and conclusions of a Workshop on Basic Research Needs for Geosciences held in February 2007. Five panels met, resulting in four Panel Reports, three Grand Challenges, six Priority Research Directions, and three Crosscutting Research Issues. The Grand Challenges differ from the Priority Research Directions in that the former describe broader, long-term objectives while the latter are more focused
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