Zobrazeno 1 - 10
of 786
pro vyhledávání: '"D M Duffy"'
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-11 (2021)
Abstract Intense short laser pulses are an intriguing tool for tailoring surface properties via ultra-fast melting of the surface layer of an irradiated target. Despite extensive studies on the interaction of femto-second laser interaction with matte
Externí odkaz:
https://doaj.org/article/e164042dc86f4d83b45d886822df762f
Autor:
J. Mulroue, D. M. Duffy
Publikováno v:
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. 467:2054-2065
Plane-wave density functional theory was used to study the properties of oxygen vacancies and interstitials, with different charge states, in MgO. The calculated properties were the relaxed configurations, the Frenkel defect formation energies and th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ded57e1ce1c5acca88a04220440c8ebb
https://doi.org/10.1098/rspa.2010.0517
https://doi.org/10.1098/rspa.2010.0517
Autor:
D. M. Duffy
Publikováno v:
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 368:3315-3328
The selection and design of materials that will withstand the extreme conditions of a fusion power plant has been described as one of the greatest materials science challenges in history. The high particle flux, high thermal load, thermal mechanical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb29fe9c7bf8bd0ff05ee3ec0b4c41fb
https://doi.org/10.1098/rsta.2010.0060
https://doi.org/10.1098/rsta.2010.0060
Autor:
Subramanian, Abirami1 (AUTHOR), Baskar, Sushmitha1 (AUTHOR) sushmithab@ignou.ac.in, Kadirvelu, Krishna2 (AUTHOR)
Publikováno v:
Bioremediation Journal. Oct2024, p1-12. 12p. 8 Illustrations.
Publikováno v:
Molecular Physics. 102:203-210
In this paper we present the results of a molecular simulation study of low dosage anti-freeze agents for two common problems that occur during oil and gas transport: gas hydrate crystallization and wax deposition. Direct molecular dynamics simulatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::43a5e1d722464e1fa71df4f226c74948
https://doi.org/10.1080/00268970310001648717
https://doi.org/10.1080/00268970310001648717
Autor:
D. M. Duffy, P. M. Rodger
Publikováno v:
The Journal of Physical Chemistry B. 106:11210-11217
The role of poly(octadecyl acrylate) in inhibiting wax formation and growth has been examined using both molecular dynamics and Monte Carlo methods. The simulations show that the defective wax growth identified in earlier studies4,6 has a simple ener
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::63bb8de7c4c2fb2455aa6e4e57acdc2c
https://doi.org/10.1021/jp026501j
https://doi.org/10.1021/jp026501j
Autor:
P. M. Rodger, D. M. Duffy
Publikováno v:
Physical Chemistry Chemical Physics. 4:328-334
The interactions between octamer units of a known wax inhibitor (poly(octadecyl acrylate)) and paraffin crystal surfaces are studied using molecular dynamics techniques. An inhibited surface is formed by adsorbing an octamer in a low energy configura
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ae79a7024eaa4b258a7ace7003339e3e
https://doi.org/10.1039/b106530k
https://doi.org/10.1039/b106530k
Autor:
D. M. Duffy
Publikováno v:
Journal of Clinical Endocrinology & Metabolism. 84:342-349
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b79d87f52647bbdda7ad044c74d704b1
https://doi.org/10.1210/jc.84.1.342
https://doi.org/10.1210/jc.84.1.342
Autor:
John A. Blackman, D. M. Duffy
Publikováno v:
Surface Science. 415:L1016-L1019
The results of density functional calculations of the interaction energies between Ag adatoms and dimers with a graphite surface are presented. It is found that, in agreement with STM experiments, the lowest energy position for the adatom is over a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::62c1eae85190ee74324fad4a1f9e52f4
https://doi.org/10.1016/s0039-6028(98)00543-3
https://doi.org/10.1016/s0039-6028(98)00543-3
Autor:
John A. Blackman, D. M. Duffy
Publikováno v:
Physical Review B. 58:7443-7449
The topic of this work is $3d$ transition metals deposited on a graphite surface. Spin-polarized density-functional calculations are used to obtain the magnetic moments of deposited adatoms and dimers and also their preferred position on the surface.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b39a1297d88dba93f65e7f36f7003d3
https://doi.org/10.1103/physrevb.58.7443
https://doi.org/10.1103/physrevb.58.7443