
computational thermodynamics

 
metteeriyal sayansinu prathyekamaaya thermodynamic prasnangal anukarikkaan computerukalude upayogamaanu computational thermodynamics, prathyekichu ghatta rekhaachithrangalude nirmmaanatthil ithu upayogikkunnu.
eee pravartthanangal nadatthaan niravadhi thuranna, vaanijya paripaadikal nilavilundu. eee saankethikavidyayude ashayam sisttathinte gibbs free energy minimisation aanu; eee reethiyude vijayam thermodynamic propertykalude listtilullava polulla thermodynamic propertykal shariyaayi alakkunnathu mathramalla, raasa moolakangalude mettaastabil alotroppukalude propertykalude extrapolation moolavum koodiyaanu.
charithram.
lohathe adisthaanamaakkiyulla ghatta rekhaachithrangalude computational modeling, pradhaanamaayum muun noottaandinte thudakkathil johannes vaan laarum pathiv parihaarangalude modeling, sameepa varshangalil calfedilake (ghatta rekhaachithrangalude kanakkukoottal) parinamichu. 1970kall muthal american metalarjist laari kofmanaanu ithinu thudakkamittath.
nilavile avastha.
computational thermodynamics metteeriyal infarmaattiksinte bhaagamaayi kanakkakkaam, ithu meteeriyals genome projectinu pinnile aashayangalude moolakkallaanu. chrystalographic daattabesukal pradhaanamaayum oru reference srotassaayi upayogikkumbol, thermodynamic daattabesukal vivarasaankethikavidyayude aadyakaala udaaharanangalilonnaanu, kaaranam eee daattabesukal bainari, ternery aloykalil ghatta sthiratha mapp cheiyunnathinaayi thermochemical kanakkukoottalukalumaayi samyojippichirikkunnu. computational thermodynamicsil upayogikkunna niravadhi ashayangalum softweyarukalum thermodynamic daattaabesukalude vikasanathinaayi samarppichirikkunna oru kansorshyamaaya sgte groupilekku credit cheyyappedunnu; dinsdale ezhuthiya pepparine adisthaanamaakki ooppan elament daattaabes soujanyamaayi labhyamaan. yoonari" ennu vilikkappedunna eee samvidaanam bainari, multiple sisttangalude vikasanathinu oru pothu aditharayaanennu theliyikkunnu, ithu eee mekhalayile vaanijyaparavum thurannathumaaya software upayogikkunnu.
ennirunnaalum, sameepakaala calfad pepparukalilum metingukalilum paranjathupole, oru pothu adithara nilanirthunnathinulla prayojanam undaayirunnittum atharam dinsdale/sgte daattaabes kaalakramena sariyaakkendathundu. eee saahacharyathil, gurutharamaayi takarnna adithara kaaranam oru veedu punarnirmmikkunnathin samaanamaayi mikka prasidheekaricha vilayiruthalukalum parishkarikkendathundu. eee ashayathe oru "vipareeta pyramid" ennum chithreekarichittundu."nilavile sameepanam (ooshmaavinekkaal uyarnna thapanilayil parimithappedutthiyirikku) vipuleekarikkuka ennathu sankeernamaaya oru joliyaanu. ooppan sozhs coode upayogichu lalithamaaya computational thermodynamics kanakkukoottal sugamamaakkunnathinaan paitthan libraryaaya pyclefad roopakalppana cheythirikkunnathu. sankeernamaaya samvidaanangalil, calfad polulla computational reethikal oro ghattathinum thermodynamic gunangal maathrkayaakkaanum malttikamponant ghatta swabhaavam anukarikkaanum upayogikkunnu. phee-sii sisttam polulla metteeriyal sayansinte oru vashath maathram parimithappedutthaatha chila pradhana aaplikkeshanukalil uyarnna marddangalil calfed prayogikkunnathu, uyarnna marddangalil phee-sii sisttathile ghatta bandhangalude computational thermodynamic kanakkukoottalukal upayogichu pareekshanathmaka phalangal sthireekarikkunnu. mattu shaasthranjar thermodynamicsinte mekhalaykku purathulla viscosityum mattu bhauthika gadakangalum polum pariganichu.
bhaaviyile sambhavavikasangal.
abb inishyo reethikalum operative computational thermodynamics daattaabesukalum thammil ippozhum oru vidavundu. munkaalangalil, mydemayude maathrkaye adisthaanamaakki laari kofmaante aadyakaala kruthikal avatharippicha oru lalithamaaya sameepanam, ettavum lalithamaaya bainari samvidaanangalude krithyatha parisodhikkaan polum upayogichirunnu. ennirunnaalum, rund samoohangaleyum soolid stettu physics, meteeriyals sayans ennivayumaayi bandhappeduthunnathu varshangalayi thudarunnathupole oru velluviliyaayi thudarunnu. abb inishyo kwaandam mechanicsil ninnulla prateeksha nalkunna phalangal wasp polulla molecular simuleshan paakkejukal centool polulla sameepanangalumayi thermodynamic daattabesukalil eluppathil samyojippichirikkunnu.
intermetaalik samyukthangalkkayi daatta shekharikkunnathinulla thaarathamyena eluppamulla maargam ippol ooppan kwaandam metteeriyal daattaabes upayogichu saadhyamaan. centropy enna aashayathil shradha kendreekarichulla oru parambara prabandhangal propha. Z.keey. liu, addehathinte gaveshana samgham enniva aduthide nirddeshikkappettittund. 

