http://publicationslist.org/data/s.jenkins/atom.xml Samantha Jenkinshttp://publicationslist.org/s.jenkins$basepathfavicon.icoRecent additions to Samantha Jenkins's PublicationsList.org pagehttp://publicationslist.org/publications.png2007-11-07T18:25:33Z http://publicationslist.org/s.jenkins/refid7 2007-11-07T17:57:26Z

We explore the use of complex networks for understanding of the interaction of computer software applications written in the Java object-oriented language with the "library classes" that they use (those provided by the Java Runtime Environment) as, essentially, a merged network of classes. The dependence of the software on the library is quantified using a recently introduced model that identifies...<br/><br/>Samantha Jenkins, Steven R Kirk (2007) <i>Advances in Complex Systems</i> 10: 3 379-393<br/>

http://publicationslist.org/s.jenkins/refid2 2007-10-07T07:34:29Z

The relative importance of economics and environment in debate may soon be reversed due to the influence of three factors. Firstly, in the global economy it is hard to hide the unwanted products of economic processes. Secondly, huge advances in science will reduce the imperfect knowledge of markets, making some monitoring and analyzing tools show the design of sensible and equitable livelihood in ...<br/><br/>John E Coulter, Shi Lei, Samantha Jenkins (2007) <i>Chinese Journal of Population, Resources and Environment</i> 5: 1 3-8<br/>

http://publicationslist.org/s.jenkins/refid6 2007-11-07T18:18:41Z

The stability and evolution of the structure of consecutive versions of a series of software architecture graphs are analysed using the theory of complex networks. Brief comparisons are drawn between the scale-free behaviour and second order phase transitions. On this basis a software design metric Icc is proposed. This software metric is used to quantify the evolution of the stability vs. maintai...<br/><br/>S Jenkins, S R Kirk (2007) <i>Information Sciences</i> 177: 12 2587-2601<br/>

http://publicationslist.org/s.jenkins/refid14 2007-10-05T18:23:43Z

Samantha Jenkins, Steven R Kirk, Paul W Ayers (2006) <i></i> <i>Physics and Chemistry of Ice</i> <i>http://www.rsc.org/Publishing/Books/0854043500.asp</i> : Bremerhaven, Germany <br/>

http://publicationslist.org/s.jenkins/refid16 2007-10-05T18:23:43Z

Samantha Jenkins, Steven R Kirk, Paul W Ayers (2006) <i></i> <i>Physics and Chemistry of Ice</i> <i>http://www.rsc.org/Publishing/Books/0854043500.asp</i> : Bremerhaven, Germany <br/>

http://publicationslist.org/s.jenkins/refid15 2007-10-05T18:23:43Z

Samantha Jenkins, Steven R Kirk, Paul W Ayers (2006) <i></i> <i>Physics and Chemistry of Ice</i> <i>http://www.rsc.org/Publishing/Books/0854043500.asp</i> : Bremerhaven, Germany <br/>

http://publicationslist.org/s.jenkins/refid17 2007-10-05T18:23:43Z

Samantha Jenkins, Steven R Kirk, Paul W Ayers (2006) <i></i> <i>Physics and Chemistry of Ice</i> <i>http://www.rsc.org/Publishing/Books/0854043500.asp</i> : Bremerhaven, Germany <br/>

http://publicationslist.org/s.jenkins/refid18 2007-11-07T18:22:50Z

A new approach to software metrics using concepts from information theory, data compression, complexity theory and analogies with real physical systems is described. A novel application of software obfuscation allows an existing software package to be analysed in terms of the effects of perturbations caused by the obfuscator. Parallels are drawn between the results of the software analysis and the...<br/><br/>Steven R Kirk, Samantha Jenkins (2004) <i>Journal of Systems and Software</i> 72: 2 179-186<br/>

http://publicationslist.org/s.jenkins/refid13 2007-10-05T18:23:43Z

The charge-density distribution in various phases of ice is used to explore the information that can be obtained about the preferred directions of motion of atoms so as to investigate the possibility of the creation of more efficient and computationally cost-effective dynamical matrices. PACS Nos.: 63.20Dj, 31.90+s, 71.10-w<P></P>Nous utilisons la distribution de densit&eacute; de charge dans diff...<br/><br/>S Jenkins, S R Kirk, A S Cote, D K Ross, I Morrison (2003) <i>Canadian Journal of Physics</i> <i></i> <i>http://www.ingentaconnect.com/content/nrc/cjp/2003/00000081/F0020001/art00030</i> 81: 225-231(7)-225-231(7)<br/>

http://publicationslist.org/s.jenkins/refid1 2007-10-05T18:23:43Z

We present the results of first-principles computational studies of the dynamical properties of hexagonal ice using both the ab-initio pseudopotential method and the full-potential augmented plane-wave method. Properties obtained using both the generalized gradient approximation (GGA) and the meta-GGA in density-functional theory are compared. The lattice-dynamical properties of the structures are...<br/><br/>A S Cote, I Morrison, X Cui, S Jenkins, D K Ross (2003) <i>Canadian Journal of Physics</i> <i></i> <i>http://www.ingentaconnect.com/content/nrc/cjp/2003/00000081/F0020001/art00017</i> 81: 115-122(8)-115-122(8)<br/>

http://publicationslist.org/s.jenkins/refid4 2007-10-05T18:23:43Z

First principles calculations are performed on possible structures of silicon monoxide solids. The chemical character of all of the bonding interactions is systematically quantified in real space. It is found that the most stable SiO structure possesses the highest number of inequivalent bond paths. This process reveals a novel metallic Si&ndash;Si interaction and provides an explanation for the o...<br/><br/>Samantha Jenkins (2002) <i>Journal of Physics: Condensed Matter</i> <i></i> <i></i> 14: 43 10251-10263<br/>

http://publicationslist.org/s.jenkins/refid10 2007-10-05T18:23:43Z

We determine the structural data of seven of the polymorphs of ice (ice Ih, ice Ic, ice IX, ice II, ice VI, ice VII and ice VIII) from <I>ab initio</I> calculations. The dynamical properties have been analysed within the harmonic approximation via a finite-difference evaluation of dynamical matrices from atomic forces. Supercells are used to model the various ordered and disordered phases consider...<br/><br/>S Jenkins, I Morrison (2001) <i>Journal of Physics: Condensed Matter</i> <i></i> <i></i> 13: 41 9207-9229<br/>

http://publicationslist.org/s.jenkins/refid3 2007-10-05T18:23:43Z

Dislocations in semiconductors can be strongly affected by a hydrogen plasma; core states may be passivated and mobility changed. For example, in silicon the activation barrier for dislocation motion drops by 1.0&nbsp;eV upon exposure to H plasma for one hour at 470-540&nbsp; 176;C. If such an effect were to be found in diamond, a simple scaling argument would yield an activation energy of 1.9&nbs...<br/><br/>M I Heggie, S Jenkins, C P Ewels, P Jemmer, R Jones, P R Briddon (2000) <i>Journal of Physics: Condensed Matter</i> <i></i> <i></i> 12: 49 10263-10270<br/>

http://publicationslist.org/s.jenkins/refid5 2007-10-05T18:23:43Z

The soliton model for motion of the <iopmath latex="$90^{\circ}$">90 176;</iopmath> partial in silicon has provided an explanation for the large reduction in activation energy (1&nbsp;eV) which occurs under prolonged exposure to an H plasma. Applying the same theoretical model to diamond yields a drop of 1.6&nbsp;eV and puts dislocation motion into the realm of the possible. Here we examine with t...<br/><br/>S Jenkins, M I Heggie (2000) <i>Journal of Physics: Condensed Matter</i> <i></i> <i></i> 12: 49 10325-10333<br/>

http://publicationslist.org/s.jenkins/refid11 2007-10-05T18:23:43Z

We have determined the normal modes of ice VIII, a 16-molecule supercell, using <I>ab initio</I> calculations. The dynamical matrices so obtained are diagonalized and the eigenvectors projected on to the stretching, bending and libration modes of each water molecule in turn. We can therefore accurately correlate the symmetry assignments of the zone centre modes and the corresponding frequencies of...<br/><br/>S Jenkins, I Morrison, D K Ross (2000) <i>Journal of Physics: Condensed Matter</i> <i></i> <i></i> 12: 6 815-821<br/>

http://publicationslist.org/s.jenkins/refid12 2007-10-05T18:23:43Z

Density functional calculations accurately reproduce the known bond lengths for C60F18, shown recently (single crystal X-ray structure) to possess a fully aromatic hexagonal ring, and they correctly predict the planarity of this ring. Isostructural C60H18 is also calculated to have an aromatic benzenoid hexagonal ring, and to be marginally less planar. The four benzenoid hexagonal rings of T symme...<br/><br/>Samantha Jenkins, Malcolm I Heggie, Roger Taylor (2000) <i>Journal of the Chemical Society: Perkin Transactions 2</i> <i></i> <i>http://www.rsc.org/Publishing/Journals/P2/article.asp?doi=b006858f</i> : 12 2415-2419<br/>

http://publicationslist.org/s.jenkins/refid9 2007-10-05T18:23:43Z

Using the theory of atoms in molecules (AIM), the intermolecular interactions, including hydrogen bonds (HBs) and the new intermolecular bonds (O?O) found recently in ice IX, ice II, ice VI, ice VII and ice VIII, can be described and classified by the topological properties of the charge density ?(rb) at the (3, ?1) bond critical points (BCPs) where the gradient of ?(r) vanishes. For 27 representa...<br/><br/>Samantha Jenkins, Ian Morrison (2000) <i>Chemical Physics Letters</i> <i></i> <i>http://dx.doi.org/10.1016/S0009-2614(99)01306-8</i> 317: 1-2 97-102<br/>

http://publicationslist.org/s.jenkins/refid19 2007-10-05T18:23:43Z

We present studies of the vibrational properties of a number of ice structures as evaluated by ?first principles? lattice dynamics. Calculations are performed within the generalized gradient approximation to density functional theory using the ?ab initio? pseudopotential method. Dynamical properties are determined within the harmonic approximation by finite difference evaluation of the dynamical m...<br/><br/>Ian Morrison, Samantha Jenkins (1999) <i>Physica B: Condensed Matter</i> <i></i> <i>http://dx.doi.org/10.1016/S0921-4526(98)01404-5</i> 263-264: 442-444<br/>

http://publicationslist.org/s.jenkins/refid8 2007-10-05T18:23:43Z

Abstract: The many different intermolecular bonding interactions present in seven of the phases of water ice representing a large portion of the phase diagram are systematically examined using the theory of "atoms in molecules" (AIM), we obtain the total charge density distributions calculated using the generalized gradient approximation (GGA) and norm-conserving pseudopotentials. With this approa...<br/><br/>S Jenkins, I Morrison (1999) <i>Journal of Physical Chemistry B</i> <i></i> <i>http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp992655w</i> 103: 50 11041-11049<br/>

http://publicationslist.org/s.jenkins/refid21 2007-10-05T18:23:43Z

Ian Morrison, Samantha Jenkins, D K Ross, J C Li (1998) <i></i> <i>Proceedings of the High-Performance Computing Initiative (HPCI) Conference</i> <i></i> : Manchester, UK <br/>

http://publicationslist.org/s.jenkins/refid20 2007-10-05T18:23:43Z

Abstract: We present a detailed study of the structural and dynamical properties of ice Ih. Methods used include the ab-initio pseudopotential and molecular orbital techniques. In order to simulate the proton disorder present in ice Ih supercells are constructed with the orientation of water molecules determined in such a way that all possible nearest neighbor orientations are included while still...<br/><br/>I Morrison, J C Li, S Jenkins, S S Xantheas, M C Payne (1997) <i>Journal of Physical Chemistry B</i> <i></i> <i>http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp963277n</i> 101: 32 6146-6150<br/>