Pengembangan Buku Ajar Simulasi dan Pemodelan Fisika dengan Unity3D Berbasis Self Regulated Learning

This study aims to develop a simulation and modeling physics textbook assisted by Unity3D software with a self-regulated learning approach. This research uses Development and Research method through 4D Model. The definition stage is carried out by determining the characteristics of the textbook that will be developed through the initial study. The design stage is done by choosing the format and design of the textbook to produce the first correction (draft). The development stage is carried out to have the second draft, third correction, and the final product of the textbook. The second correction is obtained through the revised expert validation results that have been recommended. The third correction is the acquisition of small group test results by taking them randomly. Based on the results of field tests on students who are taking Physics Simulation and Modeling courses, the final product of the textbook is obtained. One of the textbook features and tools developed is the project assignment feature and the video tutorial tool. Based on the validation of the textbook and its supporting devices, the criteria are very feasible and ready to be used and can guide student learning independently through the features in the textbook. The development of this textbook is expected to assist in developing simulations and modeling in physics and other fields of science, such as engineering and health.

Computational Design of Radical Recognition Assay with the Possible Application of Cyclopropyl Vinyl Sulfides as Tunable Sensors

The processes involving the capture of free radicals were explored by performing DFT molecular dynamics simulations and modeling of reaction energy profiles. We describe the idea of a radical recognition assay, where not only the presence of a radical but also the nature/reactivity of a radical may be assessed. The idea is to utilize a set of radical-sensitive molecules as tunable sensors, followed by insight into the studied radical species based on the observed reactivity/selectivity. We utilize this approach for selective recognition of common radicals—alkyl, phenyl, and iodine. By matching quantum chemical calculations with experimental data, we show that components of a system react differently with the studied radicals. Possible radical generation processes were studied involving model reactions under UV light and metal-catalyzed conditions.

Performance of SCAN Meta-GGA Functionals on Nonlinear Mechanics of Graphene-Like g-SiC

Although meta-generalized-gradient approximations (meta-GGAs) are believed potentially the most accurate among the efficient first-principles calculations, the performance has not been accessed on the nonlinear mechanical properties of two-dimensional nanomaterials. Graphene, like two-dimensional silicon carbide g-SiC, has a wide direct band-gap with applications in high-power electronics and solar energy. Taken g-SiC as a paradigm, we have investigated the performance of meta-GGA functionals on the nonlinear mechanical properties under large strains, both compressive and tensile, along three deformation modes using Strongly Constrained and Appropriately Normed Semilocal Density Functional (SCAN) as an example. A close comparison suggests that the nonlinear mechanics predicted from SCAN are very similar to that of Perdew-Burke-Ernzerhof (PBE) formulated functional, a standard Density Functional Theory (DFT) functional. The improvement from SCAN calculation over PBE calculation is minor, despite the considerable increase of computing demand. This study could be helpful in selection of density functionals in simulations and modeling of mechanics of materials.