Can I run LAMMPS an MD simulation software on SIMSCALE or I want some assistance that can you give me access to your supercomputer?
Here is the description of my project.
Cement is a fundamental and essential constituent of construction. While using concrete (cement and gravel) for constructive purposes we have to add water in it for hydration. Concrete contains C-S-H gel, CH, AFM, AFt phases along with pores and some anhydrous cement in it to which water molecules are physically attached and not reacting with the concrete chemically. During the process of hydration some water molecules still reside in concrete (either physically or between layers), making it weak .
For solving this problem we can add some additives like (PCE) (Plasticizers) in it so that they can reduce water and improve the flow characteristics. Many researchers have so far worked on the early strength of cement, explaining about drastic positive change in compressive strength due to pozzolonic activity which is initiated by PCE and how CSH/PCE nano composite also known as CPNs affecting this strength and We are aiming to find out the behavior of a super-plasticizer (polycarboxylic ether aka PCE) which is actually a polymer, the nano strength that poly-carboxylic ether will impart to C-S-H gel also known as calcium silicate hydrate gel using molecular dynamic approach. For this we have to analyze things at nano level which is not possible experimentally thus we are using simulation software Mat studio for modelling and we need a supercomputer to run simulation on LAMMPS to achieve our goal.