Leonard-Jones potential: Further reading

  • Context: Graduate 
  • Thread starter Thread starter letshin
  • Start date Start date
  • Tags Tags
    Potential Reading
Click For Summary
SUMMARY

The discussion focuses on the Leonard-Jones potential and its application in understanding interatomic interactions, particularly in solids. Participants recommend resources such as the original article from the Royal Society and MIT video lectures for deeper insights. It is established that while the Leonard-Jones potential can describe closed shell solids like noble gas crystals, it inadequately represents metals and covalent elements due to its limitations in predicting elastic constants and surface relaxation behaviors.

PREREQUISITES
  • Understanding of Leonard-Jones potential and its mathematical formulation
  • Familiarity with interatomic potentials and their classifications (e.g., pair vs. many-body potentials)
  • Knowledge of mechanical properties of solids, including elastic constants
  • Basic concepts in atomistic simulation techniques
NEXT STEPS
  • Research the original article on Leonard-Jones potential from the Royal Society for foundational knowledge
  • Explore MIT's video lectures on atomistic computer modeling of materials for practical applications
  • Study the limitations of the Leonard-Jones potential in predicting mechanical properties of metals
  • Investigate alternative interatomic potentials such as Embedded Atom Model (EAM) for better accuracy in simulations
USEFUL FOR

Researchers, materials scientists, and students interested in atomistic modeling and the mechanical properties of solids will benefit from this discussion.

letshin
Messages
9
Reaction score
0
Dear All,

Recently I've started looking at the Leonard-Jones potential for a project; and I'm trying to look for a book that covers the potential in additional detail beyond the standard +ve and -ve contributions.

Can anyone please recommend some books for further reading?

Most of the books I've come across treat the potential as a sort of run-by thing. They mention it and then just forget about it later on...

Cheers,
Z
 
Last edited:
Physics news on Phys.org
Ooooh thanks. I had a look at that and it looks rather useful at understanding the subject matter. However it seem to not elucidate on the potential in solids.

I'm wondering if the Lenard Jones potential/interatomic potentials can describe the mechanical properties of a solid and been trying to find some books on that. :/
 
Lennard Jones potential can describe closed shell solids reasonably well, that is the crystals of the noble gases (He, Ar, ...). But it is definitely a bad representation of metals and of course not adequate for covalent elements (Si, Ge,...).

L-J as a pair potential (2-body in contrast to many body potentials such as EAM and the like) fails in:
1) It gives C11=C44 (elastic constants) which is not observed in most metals
2) It gives "outward" surface relaxation which is not the case for many materials (it is indeed inward).More on these aspects can be found in any text on atomistic simulation such as

https://www.amazon.com/dp/0122673514/?tag=pfamazon01-20

Another good resource is MIT video lectures . All what I mentioned and more is discussed in lecture 2 and 3

http://ocw.mit.edu/courses/material...aterials-sma-5107-spring-2005/video-lectures/
 
Last edited by a moderator:
Thank you :)
 
Oh apologies for reviving an old thread, but I thought if anyone was interested in the matter they could read this under the sub-section of interatomic potentials

http://www.uic.edu/labs/trl/1.OnlineMaterials/nano.publications/03.Nanostructures.InterMoleForce.pdf

and proceed from there onwards
 
Last edited by a moderator:

Similar threads

Book recommendations for learning QM
  • · Replies 4 ·
Replies
4
Views
4K
Job Skills Is it worth taking examinations that don't require hands-on practice?
  • · Replies 9 ·
Replies
9
Views
3K
Stargazing Inquiry Regarding Hypothetical Faster-Than-Light Travel Scenario
  • · Replies 2 ·
Replies
2
Views
2K
Aerodynamics Monographs: Recent Advances in High Mach Subsonic Flight
  • · Replies 8 ·
Replies
8
Views
2K
Graduate Discussion on Astronomical Prime Numbers and Re-evaluating the Primali
  • · Replies 5 ·
Replies
5
Views
2K
Graduate How are quantum optical experiments designed? ;)
  • · Replies 1 ·
Replies
1
Views
1K
Other Book recommendations read for genetics, evolution, and neurobiology
  • · Replies 3 ·
Replies
3
Views
2K
Graduate I need a spherically symmetric spin-dependent NN potential
  • · Replies 1 ·
Replies
1
Views
2K
Graduate Explore Potential Energy, Pressure & Newtonian Gravity
  • · Replies 16 ·
Replies
16
Views
2K
Other Relearning Math: Comparing Resources for the Best Learning Experience
  • · Replies 38 ·
2
Replies
38
Views
11K