A high-performance haptic rendering system for virtual reality molecular modeling

2019 ◽  
Vol 24 (4) ◽  
pp. 542-549 ◽  
Author(s):  
Arif Pramudwiatmoko ◽  
Satoru Tsutoh ◽  
Gregory Gutmann ◽  
Yutaka Ueno ◽  
Akihiko Konagaya
Processes ◽  
2018 ◽  
Vol 6 (8) ◽  
pp. 124 ◽  
Author(s):  
Kevin Hinkle ◽  
Xiaoyu Wang ◽  
Xuehong Gu ◽  
Cynthia Jameson ◽  
Sohail Murad

In this report we have discussed the important role of molecular modeling, especially the use of the molecular dynamics method, in investigating transport processes in nanoporous materials such as membranes. With the availability of high performance computers, molecular modeling can now be used to study rather complex systems at a fraction of the cost or time requirements of experimental studies. Molecular modeling techniques have the advantage of being able to access spatial and temporal resolution which are difficult to reach in experimental studies. For example, sub-Angstrom level spatial resolution is very accessible as is sub-femtosecond temporal resolution. Due to these advantages, simulation can play two important roles: Firstly because of the increased spatial and temporal resolution, it can help understand phenomena not well understood. As an example, we discuss the study of reverse osmosis processes. Before simulations were used it was thought the separation of water from salt was purely a coulombic phenomenon. However, by applying molecular simulation techniques, it was clearly demonstrated that the solvation of ions made the separation in effect a steric separation and it was the flux which was strongly affected by the coulombic interactions between water and the membrane surface. Additionally, because of their relatively low cost and quick turnaround (by using multiple processor systems now increasingly available) simulations can be a useful screening tool to identify membranes for a potential application. To this end, we have described our studies in determining the most suitable zeolite membrane for redox flow battery applications. As computing facilities become more widely available and new computational methods are developed, we believe molecular modeling will become a key tool in the study of transport processes in nanoporous materials.


2004 ◽  
Vol 43 (1) ◽  
pp. 85-98 ◽  
Author(s):  
Jonathan D. French ◽  
James H. Mutti ◽  
Satish S. Nair ◽  
Michael Prewitt

2015 ◽  
Vol 89 (1) ◽  
pp. 17-25
Author(s):  
Esther Ortega-Mejía ◽  
Marva-Angélica Mora-Lumbreras ◽  
Alberto Portilla-Flores

2020 ◽  
Author(s):  
David J. Harris ◽  
Gavin Buckingham ◽  
Mark R. Wilson ◽  
Jack Brookes ◽  
Faisal Mushtaq ◽  
...  

Abstract In light of recent advances in technology, there has been growing interest in virtual reality (VR) simulations for training purposes in a range of high-performance environments, from sport to nuclear decommissioning. For a VR simulation to elicit effective transfer of training to the real-world, it must provide a sufficient level of validity, that is, it must be representative of the real-world skill. In order to develop the most effective simulations, assessments of validity should be carried out prior to implementing simulations in training. The aim of this work was to test elements of the physical fidelity, psychological fidelity and construct validity of a VR golf putting simulation. Self-report measures of task load and presence in the simulation were taken following real and simulated golf putting to assess psychological and physical fidelity. The performance of novice and expert golfers in the simulation was also compared as an initial test of construct validity. Participants reported a high degree of presence in the simulation, and there was little difference between real and virtual putting in terms of task demands. Experts performed significantly better in the simulation than novices (p = .001, d = 1.23), and there was a significant relationship between performance on the real and virtual tasks (r = .46, p = .004). The results indicated that the simulation exhibited an acceptable degree of construct validity and psychological fidelity. However, some differences between the real and virtual tasks emerged, suggesting further validation work is required.


1995 ◽  
Vol 4 (2) ◽  
pp. 121-129 ◽  
Author(s):  
Trina M. Roy ◽  
Carolina Cruz-Neira ◽  
Thomas A. DeFanti

Developing graphic interfaces to steer high-performance scientific computations has been a research subject in recent years. Now, computational scientists are starting to use virtual reality environments to explore the results of their simulations. In most cases, the virtual reality environment acts on precomputed data; however, the use of virtual reality environments for the dynamic steering of distributed scientific simulations is a growing area of research. We present in this paper the initial design and implementation of a distributed system that uses our virtual reality environment, the CAVE, to control and steer scientific simulations being computed on remote supercomputers. We discuss some of the more relevant features of virtual reality interfaces, emphasizing those of the CAVE, describe the distributed system developed, and present a scientific application, the Cosmic Worm, that makes extensive use of the distributed system.


2020 ◽  
Author(s):  
Markus Wiedemann ◽  
Bernhard S.A. Schuberth ◽  
Lorenzo Colli ◽  
Hans-Peter Bunge ◽  
Dieter Kranzlmüller

<p>Precise knowledge of the forces acting at the base of tectonic plates is of fundamental importance, but models of mantle dynamics are still often qualitative in nature to date. One particular problem is that we cannot access the deep interior of our planet and can therefore not make direct in situ measurements of the relevant physical parameters. Fortunately, modern software and powerful high-performance computing infrastructures allow us to generate complex three-dimensional models of the time evolution of mantle flow through large-scale numerical simulations.</p><p>In this project, we aim at visualizing the resulting convective patterns that occur thousands of kilometres below our feet and to make them "accessible" using high-end virtual reality techniques.</p><p>Models with several hundred million grid cells are nowadays possible using the modern supercomputing facilities, such as those available at the Leibniz Supercomputing Centre. These models provide quantitative estimates on the inaccessible parameters, such as buoyancy and temperature, as well as predictions of the associated gravity field and seismic wavefield that can be tested against Earth observations.</p><p>3-D visualizations of the computed physical parameters allow us to inspect the models such as if one were actually travelling down into the Earth. This way, convective processes that occur thousands of kilometres below our feet are virtually accessible by combining the simulations with high-end VR techniques.</p><p>The large data set used here poses severe challenges for real time visualization, because it cannot fit into graphics memory, while requiring rendering with strict deadlines. This raises the necessity to balance the amount of displayed data versus the time needed for rendering it.</p><p>As a solution, we introduce a rendering framework and describe our workflow that allows us to visualize this geoscientific dataset. Our example exceeds 16 TByte in size, which is beyond the capabilities of most visualization tools. To display this dataset in real-time, we reduce and declutter the dataset through isosurfacing and mesh optimization techniques.</p><p>Our rendering framework relies on multithreading and data decoupling mechanisms that allow to upload data to graphics memory while maintaining high frame rates. The final visualization application can be executed in a CAVE installation as well as on head mounted displays such as the HTC Vive or Oculus Rift. The latter devices will allow for viewing our example on-site at the EGU conference.</p>


2019 ◽  
Vol 7 (1) ◽  
pp. 55-70
Author(s):  
Moh. Zikky ◽  
M. Jainal Arifin ◽  
Kholid Fathoni ◽  
Agus Zainal Arifin

High-Performance Computer (HPC) is computer systems that are built to be able to solve computational loads. HPC can provide a high-performance technology and short the computing processes timing. This technology was often used in large-scale industries and several activities that require high-level computing, such as rendering virtual reality technology. In this research, we provide Tawaf’s Virtual Reality with 1000 of Pilgrims and realistic surroundings of Masjidil-Haram as the interactive and immersive simulation technology by imitating them with 3D models. Thus, the main purpose of this study is to calculate and to understand the processing time of its Virtual Reality with the implementation of tawaf activities using various platforms; such as computer and Android smartphone. The results showed that the outer-line or outer rotation of Kaa’bah mostly consumes minimum times although he must pass the longer distance than the closer one.  It happened because the agent with the closer area to Kaabah is facing the crowded peoples. It means an obstacle has the more impact than the distances in this case.


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