In my MD work, I’m working currently about functional gradient materials where in Pure Ni hardness is found at 34.2 GPa approximately. My graph is given below and it’s follow almost trend. But will it reliable? Or what is the problem? I attached my script also.
Please let me know. Thanks in advance.
How reliable a simulation result is depends crucially on two things: 1. if the property in question is well represented by the model that a potential is based on, and 2. what properties a specific potential has been parameterized for. You can learn both from the published literature and especially the publication describing the potential you are using.
What difference does it make what my “opinion” is? How do you know that I can tell good from bad? What if I am wrong? What if I like playing pranks on people and give you deliberately a wrong answer?
What are you going to write in your publication? “Some dude I don’t know on the internet said it was correct.”?
This is not how science and research works. Sorry. This is not like in school where you have to get the approval of your teacher (not to mention that I neither am your teacher nor have a desire to be it).