{"id":6270,"date":"2026-10-19T09:48:42","date_gmt":"2026-10-19T09:48:42","guid":{"rendered":"https:\/\/phd.hi.is\/doktorsvorn\/doktorsvorn-i-efnafraedi-abid-ali\/"},"modified":"2026-10-19T09:48:42","modified_gmt":"2026-10-19T09:48:42","slug":"doktorsvorn-i-efnafraedi-abid-ali","status":"publish","type":"phd_defence","link":"https:\/\/phd.hi.is\/en\/doktorsvorn\/doktorsvorn-i-efnafraedi-abid-ali\/","title":{"rendered":"Doktorsv\u00f6rn \u00ed efnafr\u00e6\u00f0i – Abid Ali"},"content":{"rendered":"
\n
\n

Streymi<\/strong><\/a><\/p>\n

Doktorsefni:<\/strong>\u00a0Abid Ali<\/p>\n

Heiti ritger\u00f0ar:<\/strong>\u00a0Reikningar \u00e1 sveimi og f\u00e6rslu Pt og Au at\u00f3ma milli laga \u00e1 yfirbor\u00f0i kristalla (Atomic scale simulations of Pt and Au adatom diffusion and interlayer transport)<\/p>\n

Andm\u00e6lendur: <\/strong>Dr. Nigel Mason, pr\u00f3fessor vi\u00f0 University of Kent, Bretlandi
Dr. G\u00edsli H\u00f3lmar J\u00f3hannesson, svi\u00f0sstj\u00f3ri st\u00e6r\u00f0fr\u00e6\u00f0i og raunv\u00edsinda hj\u00e1 Keili<\/p>\n

Lei\u00f0beinandi:<\/strong>\u00a0Dr. Hannes J\u00f3nsson, pr\u00f3fessor vi\u00f0 Raunv\u00edsindadeild H\u00cd<\/p>\n

Einnig \u00ed doktorsnefnd: <\/strong>Dr. Egill Sk\u00falason, pr\u00f3fessor vi\u00f0 I\u00f0na\u00f0arverkfr\u00e6\u00f0i-, v\u00e9laverkfr\u00e6\u00f0i- og t\u00f6lvunarfr\u00e6\u00f0ideild H\u00cd
Dr. Elvar \u00d6rn J\u00f3nsson, s\u00e9rfr\u00e6\u00f0ingur vi\u00f0 Raunv\u00edsindastofnun H\u00e1sk\u00f3lans<\/p>\n

Doktorsv\u00f6rn st\u00fdrir:<\/strong>\u00a0Dr. Oddur Ing\u00f3lfsson, pr\u00f3fessor vi\u00f0 Raunv\u00edsindadeild<\/p>\n

\u00c1grip<\/strong><\/p>\n

Ranns\u00f3knin sem l\u00fdst er \u00ed \u00feessari ritger\u00f0 er hluti af netverkefni sem felur \u00ed s\u00e9r v\u00f6xt nan\u00f3bygginga \u00far m\u00e1lmi \u00e1 yfirbor\u00f0i fastra efna, Horizon 2020 verkefni sem ber heiti\u00f0 ELENA.<\/p>\n

Hluti verkefnisins sem l\u00fdst er h\u00e9r f\u00f3l \u00ed s\u00e9r notkun \u00fdmissa a\u00f0fer\u00f0a, \u00fear \u00e1 me\u00f0al \u00fe\u00e9ttleika virknikenninga (DFT), h\u00e1lf-emp\u00edr\u00edskar hugsanlegar a\u00f0ger\u00f0ir og v\u00e9ll\u00e6r\u00f0a Gauss-n\u00e1lgunarm\u00f6guleika (GAP) til a\u00f0 \u00e1kvar\u00f0a kerfi flutnings adatom \u00e1 yfirbor\u00f0i fastra efna og millilaga flutnings. L\u00e1gmarksorkulei\u00f0ir fyrir hina \u00fdmsu frumferla voru reikna\u00f0ar \u00fat me\u00f0 \u00fev\u00ed a\u00f0 nota nudged-teygjubandsa\u00f0fer\u00f0ina til a\u00f0 bera kennsl \u00e1 umbreytingarferli og meta samsvarandi virkjunarorku. S\u00e9rstaklega var l\u00f6g\u00f0 \u00e1hersla \u00e1 ferla sem fela \u00ed s\u00e9r ni\u00f0urfellingu einli\u00f0a sem lenda ofan \u00e1 vaxandi \u00fe\u00e9ttp\u00f6kku\u00f0u lagi \u00e1 plat\u00ednu- og gullkrist\u00f6llum. \u00deetta eru lykilskiptin sem \u00e1kvar\u00f0a hvort yfirbor\u00f0i\u00f0 vex lag fyrir lag e\u00f0a myndar \u00fer\u00edv\u00ed\u00f0ar eyjar. \u00c1kj\u00f3sanlegur v\u00e9lb\u00fana\u00f0ur fyrir sl\u00edkan millilagsflutning var au\u00f0kenndur me\u00f0 hli\u00f0sj\u00f3n af formger\u00f0 yfirbor\u00f0s, s\u00e9rstaklega tilvist beyglna \u00e1 \u00ferepabr\u00fanunum. Einnig voru ger\u00f0ir \u00fatreikningar \u00e1 Au adatom dreifingu \u00e1 Si(100) yfirbor\u00f0inu. \u00de\u00f3 a\u00f0 k\u00f6nnunar\u00fatreikningar \u00e1 \u00f6llum \u00feessum kerfum hafi fyrst veri\u00f0 ger\u00f0ir me\u00f0 \u00fev\u00ed a\u00f0 nota h\u00e1lf-emp\u00edr\u00edskar m\u00f6guleikaf\u00f6ll, eru helstu ni\u00f0urst\u00f6\u00f0ur sem kynntar eru bygg\u00f0ar \u00e1 n\u00e1kv\u00e6mari DFT \u00fatreikningum sem voru ger\u00f0ar s\u00ed\u00f0ar me\u00f0 \u00fev\u00ed a\u00f0 nota PBEsol rafeinda\u00fe\u00e9ttleikaa\u00f0ger\u00f0ina.<\/p>\n

Helsta ni\u00f0ursta\u00f0an fyrir Pt\/Pt(111) og Au\/Au(111) kerfin er s\u00fa a\u00f0 ni\u00f0urstig \u00e1 s\u00e9r sta\u00f0 \u00feegar beygja er \u00e1 br\u00fan skrefabr\u00fanarinnar, og \u00e1kj\u00f3sanlegur v\u00e9lb\u00fana\u00f0ur felur \u00ed s\u00e9r samstillt tveggja at\u00f3ma ferli sem setur at\u00f3m n\u00e1l\u00e6gt en ekki inn \u00e1 kink-s\u00ed\u00f0ur. \u00deetta er mikilv\u00e6gt til a\u00f0 \u00fatsk\u00fdra v\u00f6xt lag fyrir lag sem kemur aftur inn, sem \u00e1\u00f0ur hefur s\u00e9st me\u00f0 tilraunum fyrir Pt(111) v\u00f6xt. \u00datreikningarnir fyrir Au\/Au(111) sem h\u00e9r eru s\u00fdndir sp\u00e1 fyrir um svipa\u00f0a heg\u00f0un fyrir v\u00f6xt Au(111) yfirbor\u00f0sins. S\u00fdnt er fram \u00e1 mikilv\u00e6gi \u00feess a\u00f0 velja einn vi\u00f0mi\u00f0unarpunkt fyrir orku a\u00f0at\u00f3msins, sem h\u00e9r er vali\u00f0 a\u00f0 vera a\u00f0at\u00f3mi\u00f0 \u00e1 \u00fatbreiddu sl\u00e9ttu yfirbor\u00f0i. Einnig eru greind tv\u00f6 \u00e1hrif sem lei\u00f0a til ey\u00f0ingarsv\u00e6\u00f0is n\u00e1l\u00e6gt \u00ferepabr\u00fanunum, sem \u00e1\u00f0ur hefur s\u00e9st me\u00f0 tilraunum.<\/p>\n

\u00datreikningar \u00e1 Au adatom \u00e1 Si(100)-2×1 yfirbor\u00f0inu s\u00fdna \u00f3venjulega dreifingarlei\u00f0. \u00de\u00f3 a\u00f0 \u00e1kj\u00f3sanlegur bindista\u00f0ur s\u00e9 \u00e1 milli Si dimer ra\u00f0anna, eins og \u00e1\u00f0ur hefur veri\u00f0 \u00e1lykta\u00f0 af tilraunam\u00e6lingum, felur \u00e1kj\u00f3sanleg dreifingarlei\u00f0 \u00ed s\u00e9r eflingu adatom til h\u00e6rri orku bindista\u00f0i ofan \u00e1 dimer r\u00f6\u00f0 og s\u00ed\u00f0an hr\u00f6\u00f0 renna eftir r\u00f6\u00f0inni \u00e1\u00f0ur en adatom dettur aftur ni\u00f0ur \u00e1 milli dimer ra\u00f0a \u00e1 l\u00e1gorkusv\u00e6\u00f0i. \u00deess vegna er sp\u00e1\u00f0 a\u00f0 dimerar af Au at\u00f3mum og hugsanlega st\u00e6rri adatom \u00feyrpingum myndist ofan \u00e1 dimer ra\u00f0ir, frekar en \u00e1 milli ra\u00f0a. \u00c1 grundvelli \u00fatreikninga \u00e1 bindista\u00f0i og fl\u00e6\u00f0islei\u00f0um voru ger\u00f0ar hreyfingar Monte Carlo eftirl\u00edkingar af langt\u00edma\u00fer\u00f3un og \u00e1rangursr\u00edk virkjunarorka fyrir dreifingu metin.<\/p>\n

Um doktorsefni\u00f0<\/strong><\/p>\n

Abid Ali f\u00e6ddist \u00e1ri\u00f0 1990 \u00ed Kundha Khahi \u00ed Sindh, Pakistan og \u00f3lst \u00fear upp me\u00f0 fimm br\u00e6\u00f0rum og fimm systrum. Hann lauk BS-gr\u00e1\u00f0u \u00ed \u00f3l\u00edfr\u00e6nni efnafr\u00e6\u00f0i \u00e1ri\u00f0 2013 fr\u00e1 H\u00e1sk\u00f3lanum \u00ed Sindh, \u00ed Jamshoro, Pakistan, og meistaragr\u00e1\u00f0u \u00ed t\u00f6lvuefnafr\u00e6\u00f0i \u00e1ri\u00f0 2017 fr\u00e1 ICCBS-h\u00e1sk\u00f3lanum \u00ed Karachi, Pakistan. Hann h\u00f3f doktorspr\u00f3f \u00ed fr\u00e6\u00f0ilegri efnafr\u00e6\u00f0i vi\u00f0 H\u00e1sk\u00f3la \u00cdslands \u00ed september 2017 og var hluti af Marie Curie, Horizon 2020 verkefni sem ber heiti\u00f0 ELENA.
<\/strong><\/p>\n<\/div><\/div>","protected":false},"featured_media":5125,"template":"","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"default","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","ast-disable-related-posts":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"_phd_date_start":"2022-06-27T10:00:00+00:00","_phd_date_end":"2022-06-27T12:00:00+00:00","_phd_location":"A\u00f0eins \u00ed streymi","_phd_admission":"A\u00f0gangur \u00f3keypis","_phd_thesis_title":"Reikningar \u00e1 sveimi og f\u00e6rslu Pt og Au at\u00f3ma milli laga \u00e1 yfirbor\u00f0i kristalla (Atomic scale simulations of Pt and Au adatom diffusion and interlayer transport)","_phd_source_url":"https:\/\/gamli.hi.is\/vidburdir\/doktorsvorn_i_efnafraedi_abid_ali","_phd_source_node_id":"388929","_phd_source_type":"vidburdir","_phd_member_id":799,"footnotes":""},"phd_school":[101,93],"phd_discipline":[102],"class_list":["post-6270","phd_defence","type-phd_defence","status-publish","has-post-thumbnail","hentry","phd_school-raunvisindadeild","phd_school-verkfraedi-og-natturuvisindasvid","phd_discipline-phd-i-efnafraedi"],"_links":{"self":[{"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/phd_defence\/6270","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/phd_defence"}],"about":[{"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/types\/phd_defence"}],"version-history":[{"count":0,"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/phd_defence\/6270\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/media\/5125"}],"wp:attachment":[{"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/media?parent=6270"}],"wp:term":[{"taxonomy":"phd_school","embeddable":true,"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/phd_school?post=6270"},{"taxonomy":"phd_discipline","embeddable":true,"href":"https:\/\/phd.hi.is\/en\/wp-json\/wp\/v2\/phd_discipline?post=6270"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}