Abstract
Recent advancements in virtual reality (VR) devices and software environments make it possible to easily incorporate this technology for many applications, including computational materials science. For studying three-dimensional (3D) structure models and related chemical information, we focused on using a commodity VR device (VIVE) and an authoring tool (Unity). To visualize 3D chemical structures, disturbances like judder due to dropped frames should be eliminated from the VR experience to improve simulations. We propose a simple evaluation method that is straightforward for the nonexpert or novice VR user. We examine the major visualization representations including ball, ball and stick, and isosurface systems. For systematic benchmark measurements, a pendulum from the VR device was used to generate periodic oscillatory motion during measurements of a time series in frames per second (fps). For VIVE with a refresh rate of 90 Hz, judder occurred when less than 90 fps. We demonstrated the system size limitations for the results of molecular dynamics simulations of phase separation of ABA block copolymers and experimental observations of filler morphologies in rubber.
Highlights
Until recently, immersive virtual reality (VR) equipment (e.g., cave automatic virtual environment (CAVE)) was very expensive.[1,2] The advent of VR devices for various forms of entertainment[3] has decreased cost and led to advancements employed in molecular sciences.[4−15] Such devices are widespread and affordable (e.g., ∼500 USD for HTC VIVE16 or Oculus Rift[17])
VR devices such as head-mounted displays (HMDs) provide stereoscopic images that follow the movement of the head in real time
We investigate the dependence of system size on VR performance of computational materials science (CMS) simulation data
Summary
Immersive virtual reality (VR) equipment (e.g., cave automatic virtual environment (CAVE)) was very expensive.[1,2] The advent of VR devices for various forms of entertainment[3] has decreased cost and led to advancements employed in molecular sciences.[4−15] Such devices are widespread and affordable (e.g., ∼500 USD for HTC VIVE16 or Oculus Rift[17]). As VR systems for large capacity processing are being developed, much research on rendering algorithms, data transfer, and realtime processing have been conducted.[23,24] Parameters related to performance can be classified as “system size”, “rendering method” (software), and “VR hardware”. Even with small systems, some problems occurred due to insufficient performance of VR hardware. Algorithms are adopted and commodified when using HTC-VIVE,[16] Oculus Rift,[17] and other devices with software such as Unity[18] and Unreal Engine.[19] The development of fast and efficient rendering techniques is still quite important, requiring system size to be addressed when considering VR for CMS used by nonexperts or novices. The problem of “data transfer” from the central processing unit (CPU) to the GPU is regarded here as a problem within the system size parameter
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