Molecular dynamics-based study of the modification mechanism of asphalt by graphene oxide.

CONTEXT: Graphene oxide(GO) has been widely used in asphalt modification due to its excellent properties. To reveal the interaction effect between GO and asphalt materials, the microscopic behavior and molecular structure changes of asphalt and GO/asphalt were investigated by molecular dynamics (MD) simulations. Mean square displacement (MSD) results showed that GO significantly inhibited the diffusion of molecules of asphalt components. Radial distribution function (RDF) results that GO destroys the original sol-type structure of asphalt. Simultaneously, GO adsorbed resins at low-temperature, adsorbed asphaltenes at high-temperature, and dispersed as a dispersed phase in the light components. The concentration of the dispersed phase in the asphalt colloidal structure was increased and the mutual attraction was enhanced. This improves the deformation resistance at high temperature, but weakens the ductility at low temperatures. METHODS: To investigate the mechanism of action of GO-modified asphalt, the asphalt model and the GO/asphalt composite system model were constructed using the Amorphous Cell module in Materials Studio 2020 software. Subsequently, molecular dynamics simulations of the GO/asphalt composite system were performed using the Forcite module, while the interactions between atoms and molecules were described using the COMPASS II force field.

Zero-Error Coding via Classical and Quantum Channels in Sensor Networks.

Today's sensor networks need robustness, security and efficiency with a high level of assurance. Error correction is an effective communicational technique that plays a critical role in maintaining robustness in informational transmission. The general way to tackle this problem is by using forward error correction (FEC) between two communication parties. However, by applying zero-error coding one can assure information fidelity while signals are transmitted in sensor networks. In this study, we investigate zero-error coding via both classical and quantum channels, which consist of n obfuscated symbols such as Shannon's zero-error communication. As a contrast to the standard classical zero-error coding, which has a computational complexity of , a general approach is proposed herein to find zero-error codewords in the case of quantum channel. This method is based on a n-symbol obfuscation model and the matrix's linear transformation, whose complexity dramatically decreases to . According to a comparison with classical zero-error coding, the quantum zero-error capacity of the proposed method has obvious advantages over its classical counterpart, as the zero-error capacity equals the rank of the quantum coefficient matrix. In particular, the channel capacity can reach n when the rank of coefficient matrix is full in the n-symbol multilateral obfuscation quantum channel, which cannot be reached in the classical case. Considering previous methods such as low density parity check code (LDPC), our work can provide a means of error-free communication through some typical channels. Especially in the quantum case, zero-error coding can reach both a high coding efficiency and large channel capacity, which can improve the robustness of communication in sensor networks.