CCL: water melting simulation
- From: Yao-Ying Chien <chieny**msu.edu>
- Subject: CCL: water melting simulation
- Date: Thu, 10 Nov 2005 13:47:29 -0800
Sent to CCL by: Yao-Ying Chien [chieny!^!msu.edu]
Hi,
I am interested in water melting simulation (from ice to water;
(would
be nice if ) then water to ice). It must have been done extensively. I
did a quick search in SCI, but got (too) many returns. Read a few of
them, but could not pin point who are the first ones simulated water
melting successfully. Could you please point me the right keywords for
the literature search? Pointers to Review papers or Web sites are
great!
Names of pioneers who failed but laid the foundation for others to
succeed are welcome too.
A scientist I ran into 2 years ago at ACS meeting told me a Japanese
scientist has done it on supercomputer. Could you please tell me the
name of the Japanese scientist, or the year, to help me narrow down
the
literature search?
A scientist mentioned that MD can do it. Is that so? My intuition is
that some quantum level simulation may involve.
Basically, I wish to see motion pictures when water melts (and
hopefully
become ice again). How the 1st few ice molecules decide to break their
H-bonds to form a cluster of water molecules. And why do they break--
does it require some form of "seed" in the neighborhood to
initiate
the process? Does the same "seed" initiate the freezing as
well? Any
evidences to support or against the observations (or the predictions)
in
the simulations?
Thanks,
Yao-Ying Chien