Dear Mohamad,

My take on MD simulations is a bit different from what you suggest. If you use the right physics, then the results of the MD simulations should give you the intrinsic properties and/or behavior. In metallurgy of solidification processes as in welding or casting, those properties and behavior are controlled by extrinsic factors such as oxides, intermetallics, etc. Therefore, MD simulations should give you the potential properties and behavior. I would use MD simulation results and data from literature to determine the gap between the "potential" and the current state and design a small, repeatable experiment in which you can demonstrate how the gap can be closed, at least partially. I would not use experiments on solidification to validate MD results. Exciting!

Good luck.

Dear Mohamad,

My take on MD simulations is a bit different from what you suggest. If you use the right physics, then the results of the MD simulations should give you the intrinsic properties and/or behavior. In metallurgy of solidification processes as in welding or casting, those properties and behavior are controlled by extrinsic factors such as oxides, intermetallics, etc. Therefore, MD simulations should give you the potential properties and behavior. I would use MD simulation results and data from literature to determine the gap between the "potential" and the current state and design a small, repeatable experiment in which you can demonstrate how the gap can be closed, at least partially. I would not use experiments on solidification to validate MD results. Exciting!

Good luck.

Dear Mohamad:

I would have to fully agree with Dr. Tiryakioglu. Remember than Molecular Dynamics calculations pertain to exceedingly high strain rates - equivalent to that of a nuclear bomb!! - and involve extremely small volumes, and so although they can be very useful and insightful (provided you have accurate atomic potentials), they do not necessarily pertain to the reality of most experimental situations, as for example that of welding, where the strain rates are invariably far lower and the length-scales are much larger. Yes, good luck!

ROR

Thank you Mr. Murat. That was sort of new perspective for me and I glad that you share it here. I shall more comprehend the experimental method to know which part that can be validated and which part that is not.

Thanks Mr. Robert for your perspective. This high strain rates, I think, is not limited by the high strain rates itself that performed, for instance, in tensile test, but rather it perhaps also involved the time steps applied in the system. Because, much lower strain rates would leads to much longer simulation run, and then much more computing resource is needed, which in my case is very limited. Would you share with me if you have any strategies to come out from this situation?

Thanks in advance and good luck for you as well..

Read some Review papers and research papers.

Also learn the procedure of experimental technique

How about check ASTM testing standards ( https://www.astm.org/Standards/physical-and-mechanical-testing-standards.html ) to search for feasible benchmark?

Thank you, Naseem Ahmad & E-Wen Huang, for your answer. I'll take note of it.

Dear Mohamad Zaenudin ,

Typical experimental research in metallurgy is a process of sample fabrications (weld etc.) with various conditions, property tests, and micro-structure investigations etc. Computational analyses would be helpful, see my discussion with Tahar Saadi in the question "what is the best welding Mathematical Model for optimization quality weld joints ?". Hope it be helpful.

Dear Muhammad,

You have to start from beginning. Need to correlate the property by metallurgy and materials both. Computational analysis is later stage.

Materials scientists emphasize understanding how the history of a material (its processing) influences its structure, and thus the material's properties and performance. The understanding of processing-structure-properties relationships is called the materials paradigm. Thermodynamics is concerned with heat and temperature and their relation to energy and work. It defines macroscopic variables, such as internal energy, entropy, and pressure that partly describe a body of matter or radiation. Kinetics is essential in processing of materials because, among other things, it details how the micro-structure changes with application of heat. Here Metallurgy involves.

Since, materials exhibit myriad properties, mechanical properties, chemical properties, electrical properties, electricity, thermal properties, thermodynamics, optical properties- optics and photonics, magnetic properties- magnetism need a structure property relationship can be induced by metallurgy casting/liquid phase, melting and solid state processing routes.

Ashish

Dear Gyoko Oh,

Thank you very much for your answer. It gains me some sort of new insight. However, it is still a bit hard to start it due to the fact that it costs much for me as an early career researcher, especially to run various experiments involving several parameters. However, the design of experiments such as the Taguchi Method might be useful for me. Thanks.

Dear Ashish Thakur,

Your explanation is a pretty handful of insight to me. I do think the same based on several papers I read. However, it is time, I thought, to be more specific, especially in choosing the materials that will be investigated by considering the fact that some materials are pretty much useful but hard to investigate due to apparatus, and some of it a bit useful and is more convenient for me to start with. Thanks a lot.

Regards,

Mohamad Zaenudin

Dear Muhammad,

If you find difficulties try with powder metallurgy and composite area. however, powder metallurgy area, finding some materials for research might be difficult again for you. that;s true... but it may good scale ad shape of your research. for composite, rather than MMC and CMC , using PMC(enlighten composite mechanics) would be economical and highly applicable for industries.

Hope it is helpful for you.

Ashish

Thanks again Mr. Ashish Thakur. I highly appreciate your explanation.

Finding a good question is a good way. Think like a curious child and you will realize that outside is full of mysteries to be solved.

Thanks, Mr Alberto Bejarano

Dear Mohamad,

To start with metallurgical experiments you must plan according to your interest. MD simulations are efficient but only consider the tiniest volume of an actual component. In practice, the bulk can show something completely different than the MD results. Experiments are often associated with several interdependent parameters which can significantly affect the end results.

According to my understanding, you need to start getting practical scenarios while performing an experiment (whatever metallurgical process it may be). If you can relate the three materials paradigm namely processing-structure-property together, you can always reproduce it by using any simulator of your choice. In my opinion, your approach is reverse and simulation should come secondary. By this method, you would understand the process more thoroughly and could build a better understanding of the difference that the experiment and simulation make.