Eng's Notebook

  Hello and welcome to the fourth article in Eng's Notebook! In this article, let's explore the MD (Molecular Dynamics) simulation, focusing on how LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) can be a powerful tool for enhancing your simulations. As an extra point, let's discuss how we can use Linux-based HPC (high-performance computing) for running simulations efficiently, according to my personal experience. 💡 So, what is molecular dynamics? Molecular dynamics (MD) is a computational simulation technique used to study the behavior of atoms and molecules. It allows for the observation of their interactions and movements over a specified period, providing insights into the dynamic evolution of a system.  In most of the industries, the trial-and-error method is used to solve the problem. It can be an extremely time and resource consuming method. When we use a trial and error method, we can't understand what is happening inside the materials and ca...

🔥 ... Graphene oxide is one of the most exciting material in the field of nanotechnology. It is a derivative of graphene that consists of a single layer of carbon atoms with oxygen-containing functional groups such as hydroxyl, epoxy, and carboxyl groups. These functional groups make GO highly hydrophilic and dispersible in water. Due to its tunable surface properties, it can be applied in various fields, including water purification, energy storage, biomedicine, and flexible electronics. In this article, we’ll explore how graphene oxide is synthesized and its properties. Figure 01 : The structure of GO with functional groups How Is Graphene Oxide Synthesized? Graphene oxide is synthesized by oxidizing graphite and then exfoliating it into thin layers. The most widely used method for synthesizing graphene oxide is the Hummers method. This method is suitable for large-scale production because it produces a high yield of graphene oxide. In this method, first graphite pow...

🔥 ... Hi all! In this article, I will give you a brief introduction to our final-year research project.  The hard water problem is a major issue in Sri Lanka and around the world due to its health risks and unpleasant taste. What is hard water? Hard water is water that has a high concentration of dissolved minerals, mainly calcium (Ca²⁺) and magnesium (Mg²⁺) ions. These minerals come from natural sources, such as limestone or chalk, as water flows through them. Inadequate intakes of calcium have been associated with increased risks of osteoporosis, nephrolithiasis (kidney stones), colorectal cancer, hypertension and stroke, coronary artery disease, insulin resistance, and obesity. Also, there is a potential risk of CKDu (Chronic Kidney Disease of unknown etiology) by hardness. According to the analysis, 26.9% of well water was soft, 15.0% was moderately hard, 15.8% was hard, and 42.2% was very hard in Sri Lanka. Figure 01: Relationship between water hardness and n...