Force field suitable for studying silica crystal

In summary, the conversation is about finding a suitable force field for studying silica crystal or alpha quartz crystal. The BKS force field is suggested, but the person is also asking for other simple terms of force fields to use. The conversation ends with a mention of the Beest-Kramer-van Santen force field and a link to articles discussing it.
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TL;DR Summary
I need some advice and help please
-Is There a tow body force field suitable to study silica crystal or alpha quartz crystal? it's okay to gives Approximate results.
- Is the BKS force field suitable for silica crystal?
- If there are other simple terms of force field for studying the silica crystal. Advise me to use them.
Thank you.
I need some advice and help please
-Is There a two body force field suitable to study silica crystal or alpha quartz crystal? it's okay to gives Approximate results.
- Is the BKS force field suitable for silica crystal?
- If there are other simple terms of force field for studying the silica crystal. Advise me to use them.
Thank you.
 
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1. What is a force field and why is it important for studying silica crystals?

A force field is a mathematical model that describes the interactions between atoms and molecules in a system. It is important for studying silica crystals because it allows us to simulate and understand the behavior of the atoms and molecules within the crystal, which is crucial for predicting its properties and behavior.

2. How do you choose a suitable force field for studying silica crystals?

Choosing a suitable force field for studying silica crystals involves considering the composition and structure of the crystal, as well as the properties you are interested in studying. It is important to select a force field that has been specifically parameterized for silica and has been validated for the properties you wish to investigate.

3. Can a force field accurately capture the behavior of silica crystals?

Yes, a well-parameterized and validated force field can accurately capture the behavior of silica crystals. However, it is important to note that force fields are not perfect and may have limitations in certain situations. It is always important to carefully validate the results obtained from a force field simulation.

4. How do you validate the results obtained from a force field simulation of silica crystals?

Validation of force field results for silica crystals can be done by comparing them to experimental data or results obtained from other simulation methods. It is also important to perform sensitivity analyses and check for convergence to ensure the accuracy of the results.

5. Are there any limitations to using force fields for studying silica crystals?

Yes, there are some limitations to using force fields for studying silica crystals. These include the inability to accurately capture certain types of interactions, such as hydrogen bonding, and the need for careful parameterization and validation for each specific system. Additionally, force fields may not be suitable for studying very large or complex systems.

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