Bridging Scales by Coarse Graining

Bridging Scales by Coarse Graining

Bridging Spatio-Temporal Scales by Coarse Graining

Scale Separation between a Particle and a Fluid Molecule

暘巕榑偐楢懕懱偺擇幰戰堦偐傜戝帺桼搙偺廤栺偱偁傞慹帇壔傊

 

慹帇壔乮Coarse-Graining; CG乯偲偄偆尵梩偑丆嬤擭峀偔巊傢傟傞傛偆偵側傝傑偟偨丏扨側傞儊僝僗働乕儖儌僨儖偲擣幆偝傟傞傛偆側応柺偑偁傝傑偡偑丆慹帇壔偼摑寁椡妛偺愱栧梡岅偱丆偁傞夝憸搙偺婰弎傪傛傝夝憸搙偺慹偄婰弎偵廤栺偡傞偙偲傪昞偟傑偡丏偟偨偑偭偰尩枾偵偼丆heuristic側儌僨儕儞僌偼慹帇壔偱偼偁傝傑偣傫丏尰嵼丆暘巕摦椡妛朄乮Molecular Dynamics; MD乯偺尨巕娫億僥儞僔儍儖偼庡偵検巕椡妛寁嶼偐傜戞堦尨棟揑偵媮傔傜傟傑偡偑丆偙傟傕慹帇壔偺堦娐偱偡丏婎慴曽掱幃偱尵偊偽丆尨巕丒暘巕宯偺Hamiltonian傪慹帇壔偡傞偲Langevin曽掱幃偑摼傜傟丆Boltzmann曽掱幃傪慹帇壔偡傞偲Navier-Stokes曽掱幃偑摼傜傟傑偡丏慹帇壔偺嵺偵偼丆懡偔偺応崌偵壗傜偐偺嬤帡傕摫擖偝傟傑偡丏

 

寁嶼椡妛偺帇揰偐傜尒偨幚梡忋偼丆夝憸搙傪慹偔偡傞偙偲偵傛傝丆摨偠寁嶼帒尮偱傛傝戝偒側帪嬻娫僗働乕儖傪埖偆偙偲偑偱偒傑偡丏椺偊偽丆慡尨巕MD偱偼庢傝埖偄崲擄側丆偣傫抐棳傟偵偝傜偝傟傞帀幙擇暘巕枌偺峔憿晄埨掕尰徾摍傪CGMD偵傛傝悢抣夝愅偡傞偲丆暘巕榑揑側婲尮偵傛傞楢懕懱揑側枌峔憿曵夡偺慺夁掱傪柧傜偐偵偱偒傑偡丏偨偩偟丆夝憸搙傪壓偘傞慹帇壔偵傛偭偰壗傜偐偺忣曬傪幐偆偙偲偵偼忢偵棷堄偑昁梫偱偡丏CGMD偵偍偄偰奼嶶揑側嫇摦偺帪掕悢傑偱堐帩偟偨偄応崌偵偼丆Newton偺塣摦曽掱幃偱偼側偔丆揑妋側杸嶤學悢偲嫟偵偁傞庬偺Langevin曽掱幃傪梡偄傞昁梫偑偁傝傑偡丏偙傟偼丆慹帇壔億僥儞僔儍儖偑帺桼僄僱儖僊乕偵懳墳偟丆奼嶶揑側忣曬傪幪徾偟偰偄傞偙偲偲懳墳偟偰偄傑偡丏

 

偦偟偰丆Brown塣摦傪婰弎偡傞慄宍Langevin曽掱幃偵傕丆拲栚偡傞棻巕偑廃埻棳懱暘巕傛傝傕廫暘偵戝偒側幙検傪帩偮丆偲偄偆慜採偑偁傝傑偡丏悈梟塼拞偺扨尨巕僀僆儞偵偮偄偰峫偊傞応崌丆偙偺慜採偼惉傝棫偪傑偣傫丏偙偺傛偆側忬嫷偱偼丆廃埻棳懱傪峔惉偡傞屄乆偺暘巕偺Brown塣摦偺帪掕悢偲丆拲栚偡傞暔懱偺偦傟偲偑廩暘偵棧傟偰偄傑偣傫丏偙偺応崌丆Langevin曽掱幃偺惉棫斖埻偱偼Stokes-Einstein偺娭學偲偟偰昞偝傟傞傛偆偵棻巕偺僒僀僘偩偗偑奼嶶學悢偵塭嬁傪媦傏偡忬嫷偲偼堎側傝丆棻巕偺幙検偵傕奼嶶學悢偑埶懚偡傞偲偄偆忬嫷偑尰傟傑偡丏偦偺寢壥丆Brown塣摦傪姰慡偵懪偪徚偟偨忦審偲斾傋偰丆揹婥塲摦偺傛偆偵帪娫揑偵堦掕偺奜椡偱桝憲偟偨応崌偵丆嶌梡偡傞棳摦掞峈偵傕嵎堎偑惗偠傑偡

 

傑偨丆Langevin曽掱幃偑惉傝棫偪丆Reynolds悢傕Stokes悢傕旝彫側忦審偱偁偭偰傕丆儅僀僋儘棳楬偐傜拲栚偡傞僫僲棻巕偲摨掱搙偺棳楬崅偝傪帩偮僫僲棳楬傊偺棳擖帪偵丆廃埻棳懱偲拲栚偡傞棻巕偲偺桝憲尰徾偵嵎堎偑惗偠傞偙偲傪丆Brown塣摦偲掕忢棳傟応偺楢惉偐傜帵偡偙偲偑偱偒傑偡丏偙傟偼丆娭楢偟偨寢壥偲偟偰惗偠傞擹搙晄嬒堦偵偮偄偰嬤擭幚尡揑偵帵偝傟丆巹払偑儊僇僯僘儉傪夝柧偟偨尰徾偱偡丏傕偟Brown塣摦傪弶傔偐傜柍帇偟偰偄偨傜愢柧晄擻偱偡偑丆幚嵺偵偼Peclét悢乮偺媡悢乯偱晛曊揑偵尰徾傪惍棟偡傞偙偲偑偱偒傑偡丏偙傟偼丆DNA僔乕働儞僒乕偺傛偆側嵶岴宆偺扨堦専懱専弌僨僶僀僗偩偗偱側偔丆戝検偺帋椏傪張棟偡傞鄅夁憰抲傗丆僋儘儅僩僌儔僼傿乕偺媄弍偵傕娭楢偡傞抦尒偱偡丏

 

偝傜偵怴偟偄帇揰偲偟偰丆Brown塣摦偺忣曬傪朙晉偵娷傫偩尠旝嬀摦夋偺價僢僌僨乕僞傪廤栺偡傞幚尡寁應僨乕僞夝愅傕丆峀偄堄枴偱慹帇壔偺堦娐偲峫偊傞偙偲傕偱偒傑偡丏晛抜庢傝埖偭偰偄傞帪嬻娫夝憸搙傛傝傕嵶偐偄夝憸搙偐傜昁梫側惛搙偲憤検偺忣曬傪妉摼偟丆偦傟傪揑妋偵廤栺偡傞偙偲偱摼傜傟傞抦尒偑偁傝傑偡丏朙晉側僨乕僞偑妉摼偱偒偰崅懍側寁嶼偵傛傝鉱枾偵夝愅偱偒傞偙偲傪慜採偵惉傝棫偮價僢僌僨乕僞夝愅偼怴偟偄偱偡偑丆摨帪偵丆Langevin曽掱幃傗Boltzmann曽掱幃偱傕埖傢傟偰偄偨慹帇壔偺堦娐偲偟偰偼壏屘抦怴偱傕偁傝傑偡丏杮棃偼崌棟惈丒昁慠惈偑偁傞偵傕娭傢傜偢愭擖娤偵慾傑傟偰尒棊偲偝傟偰偄傞婎慴揑側懁柺偵塻偔拝娽偡傞偙偲偼丆怓弪偣側偄塱懕揑壙抣偑偁傞抦尒偺妉摼偵偮側偑傝傑偡丏



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