Zobrazeno 1 - 10
of 16
pro vyhledávání: '"and Keith M. Beardmore"'
Publikováno v:
Langmuir. 19:1474-1485
We present a simple molecular model for the self-assembly of alkanethiols on gold. The model, a rigid rod representation of a molecule which is constrained to a given distance from the gold surface, allows direct long-time simulations of large-scale
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::40f8bdbf76f978ea146306eac9b2eef1
https://doi.org/10.1021/la026344f
https://doi.org/10.1021/la026344f
Publikováno v:
Chemical Physics Letters. 286:40-45
We present a realistic empirical potential function to model the head-group interaction for self-assembled monolayers (SAMs) of alkanethiols on Au(111). The potential function is fit to data obtained by ab initio geometry optimization of SCH 3 on Au(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c7aa21ccfab41820401f279453f6930
https://doi.org/10.1016/s0009-2614(97)01361-4
https://doi.org/10.1016/s0009-2614(97)01361-4
Publikováno v:
Molecular Physics
We present Lekner summations of long-range interactions in three-dimensional media, which are periodic in one or two dimensions. While the basic summation techniques are well known from Lekner's original work, we emhasize a simple method for correctl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::58b7142bc914ff0df842faf5fde13392
https://doi.org/10.1080/002689797169871
https://doi.org/10.1080/002689797169871
Publikováno v:
Physical Review B. 54:17147-17157
It is crucial to have a good phenomenological model of electronic stopping power for modeling the physics of ion implantation into crystalline silicon. In the spirit of the Brandt-Kitagawa effective charge theory, we develop a model for electronic st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::816ade44f93623eafba18887b6a54631
https://doi.org/10.1103/physrevb.54.17147
https://doi.org/10.1103/physrevb.54.17147
Publikováno v:
Applied Physics Letters. 82:1839-1841
A vacancy-mediated diffusion mechanism has been assumed in traditional models of P diffusion in Si. However, recent experiments have suggested that for intrinsic P diffusion in Si, the interstitial-assisted diffusion mechanism dominates. Here, we des
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c277d8f6cd8a9e0ec6caf0f7e223c7b1
https://doi.org/10.1063/1.1562342
https://doi.org/10.1063/1.1562342
Diffusion and clustering of lattice vacancies in silicon as a function of temperature, concentration, and interaction range are investigated by Kinetic Lattice Monte Carlo simulations. It is found that higher temperatures lead to larger clusters with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b475ce15b427d95e846ab706ed117bbb
Publikováno v:
Proceedings of 11th International Conference on Ion Implantation Technology.
We have studied the implantation of boron and arsenic ions into silicon by classical Molecular Dynamics simulation. Single ion implant into the dimer reconstructed Si{100}(2/spl times/1) surface has been examined at energies between 0.25 keV and 5.0
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::83de567f82980c35f10818db6ffd545c
https://doi.org/10.1109/iit.1996.586434
https://doi.org/10.1109/iit.1996.586434
We simulate model systems of charged spherical particles in their counterion solution and measure the thermodynamic pressure and the pair distribution function from which we derive effective potentials of mean force. For a system with only electrosta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f49701be6399687803c3a518037512a
http://arxiv.org/abs/cond-mat/9902059
http://arxiv.org/abs/cond-mat/9902059
We present a highly efficient molecular dynamics scheme for calculating the concentration depth profile of dopants in ion irradiated materials. The scheme incorporates several methods for reducing the computational overhead, plus a rare event algorit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b1a76399ddec459b4f71e6aa24a2b7cd
http://arxiv.org/abs/physics/9901054
http://arxiv.org/abs/physics/9901054
We simulate dopant profiles for phosphorus implantation into silicon using a new model for electronic stopping power. In this model, the electronic stopping power is factorized into a globally averaged effective charge Z1*, and a local charge density
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::774d4c0166538feee2c9f77f26d690fe