Scalable Nanohelices for Predictive Studies and Enhanced 3D Visualization

Abstract

Spring-like materials are ubiquitous in nature and of interest in nanotechnology for energy harvesting, hydrogen storage, and biological sensing applications. For predictive simulations, it has become increasingly important to be able to model the structure of nanohelices accurately. To study the effect of local structure on the properties of these complex geometries one must develop realistic models. To date, software packages are rather limited in creating atomistic helical models. This work focuses on producing atomistic models of silica glass (SiO 2 ) nanoribbons and nanosprings for molecular dynamics (MD) simulations. Using an MD model of "bulk" silica glass, two computational procedures to precisely create the shape of nanoribbons and nanosprings are presented. The first method employs the AWK programming language and open-source software to effectively carve various shapes of silica nanoribbons from the initial bulk model, using desired dimensions and parametric equations to define a helix. With this method, accurate atomistic silica nanoribbons can be generated for a range of pitch values and dimensions. The second method involves a more robust code which allows flexibility in modeling nanohelical structures. This approach utilizes a C++ code particularly written to implement pre-screening methods as well as the mathematical equations for a helix, resulting in greater precision and efficiency when creating nanospring models. Using these codes, well-defined and scalable nanoribbons and nanosprings suited for atomistic simulations can be effectively created. An added value in both open-source codes is that they can be adapted to reproduce different helical structures, independent of material. In addition, a MATLAB graphical user interface (GUI) is used to enhance learning through visualization and interaction for a general user with the atomistic helical structures. One application of these methods is the recent study of nanohelices via MD simulations for mechanical energy harvesting purposes. Video LinkThe video component of this article can be found at

Meaningful Learning Through Virtual Reality Learning Environments: A Case Study in Materials Engineering

“…However, based on the authors' own experience in designing different VRLEs for several years, the more relevant aspect influencing the meaningful learning experience is the step-by-step protocol. In previous studies [4,6,[9][10][11]15], the authors have verified that, in general, the motivation is always high when using this type of TEL. However, this aspect (higher level of motivation by updating the software) cannot be the key factor that has favored the increase reflected in Figure 6 of approximately 30% in the knowledge retained one year after.…”

“…To date, different tests of materials have been simulated in a VRLE (e.g., tensile testing [4,5], compression testing [6], impact testing [7,8], hardness testing [7,8], microscopic analysis [7,8], and non-destructive testing [9,10]). In addition, other key aspects related to MSE have been investigated in a VRLE (e.g., crystal lattices [11,12], phase diagrams [13,14], nanomaterials [15,16], and materials manufacturing processes [17]). Several educational benefits of implementing virtual reality (VR) in MSE have been reported in the literature [4,18,19].…”

“…Furthermore, to the authors' knowledge, there is no publication to date covering the influence of VRLEs' design on meaningful learning. Thus, taking into account the research trajectory of the authors, who have recently designed and implemented several virtual laboratories based on VR and IVR technology in the field of MSE [2,4,6,[9][10][11][14][15][16]24,[39][40][41], the main objective of this paper is to compare different VRLE designs to elucidate the most suitable features for achieving meaningful learning. Consequently, key factors that a TEL-based VR must have to promote a good level of meaningful learning experience in the classroom are described in this contribution.…”

A Virtual Resource for Enhancing the Spatial Comprehension of Crystal Lattices

“…Previous papers highlighted how important and necessary it is to acquire a good spatial visualization skill for the future professional life of an engineer or architect [6]. In this sense, serious spatial visualization difficulties in technical or engineering subjects were detected [7][8][9][10]. On the other hand, the advantage of using virtual tools (VTs) in the teaching of subjects included in engineering degrees have been demonstrated many times [11][12][13][14].…”

The Technological Obsolescence of Virtual Reality Learning Environments

“…Another clear example can be seen if one visits a website developed for a large company in the late nineties and compares it with a more recently developed website for that same company: a modern website of this type has an aesthetic adapted to current preferences, links to social networks (nonexistent in the nineties), modern security protocols, ready to work collaboratively with other people in different disciplines and expertise, adaptable in new job environments and innovative-driven to seek entrepreneurship opportunities. For this reason, VRLEs have been the subject of different studies that have indicated which characteristics are those that arouse greater motivation among students [25][26][27][28][29][30][31]. One of the main conclusions drawn from these studies indicates the technological obsolescence of VRLE as a factor that decisively influences the motivation that students have when using these educational tools.…”