{"action":"closed","issue":{"url":"https://api.github.com/repos/ufsowa/mcdif/issues/38","repository_url":"https://api.github.com/repos/ufsowa/mcdif","labels_url":"https://api.github.com/repos/ufsowa/mcdif/issues/38/labels{/name}","comments_url":"https://api.github.com/repos/ufsowa/mcdif/issues/38/comments","events_url":"https://api.github.com/repos/ufsowa/mcdif/issues/38/events","html_url":"https://github.com/ufsowa/mcdif/issues/38","id":175643687,"number":38,"title":"Time for equlibrate","user":{"login":"ufsowa","id":21135760,"avatar_url":"https://avatars.githubusercontent.com/u/21135760?v=3","gravatar_id":"","url":"https://api.github.com/users/ufsowa","html_url":"https://github.com/ufsowa","followers_url":"https://api.github.com/users/ufsowa/followers","following_url":"https://api.github.com/users/ufsowa/following{/other_user}","gists_url":"https://api.github.com/users/ufsowa/gists{/gist_id}","starred_url":"https://api.github.com/users/ufsowa/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/ufsowa/subscriptions","organizations_url":"https://api.github.com/users/ufsowa/orgs","repos_url":"https://api.github.com/users/ufsowa/repos","events_url":"https://api.github.com/users/ufsowa/events{/privacy}","received_events_url":"https://api.github.com/users/ufsowa/received_events","type":"User","site_admin":false},"labels":[{"id":427825557,"url":"https://api.github.com/repos/ufsowa/mcdif/labels/duplicate","name":"duplicate","color":"cccccc","default":true}],"state":"closed","locked":false,"assignee":null,"assignees":[],"milestone":{"url":"https://api.github.com/repos/ufsowa/mcdif/milestones/1","html_url":"https://github.com/ufsowa/mcdif/milestones/Dislocation%20movement","labels_url":"https://api.github.com/repos/ufsowa/mcdif/milestones/1/labels","id":1952700,"number":1,"title":"Dislocation movement","description":null,"creator":{"login":"ufsowa","id":21135760,"avatar_url":"https://avatars.githubusercontent.com/u/21135760?v=3","gravatar_id":"","url":"https://api.github.com/users/ufsowa","html_url":"https://github.com/ufsowa","followers_url":"https://api.github.com/users/ufsowa/followers","following_url":"https://api.github.com/users/ufsowa/following{/other_user}","gists_url":"https://api.github.com/users/ufsowa/gists{/gist_id}","starred_url":"https://api.github.com/users/ufsowa/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/ufsowa/subscriptions","organizations_url":"https://api.github.com/users/ufsowa/orgs","repos_url":"https://api.github.com/users/ufsowa/repos","events_url":"https://api.github.com/users/ufsowa/events{/privacy}","received_events_url":"https://api.github.com/users/ufsowa/received_events","type":"User","site_admin":false},"open_issues":2,"closed_issues":22,"state":"open","created_at":"2016-08-20T05:15:44Z","updated_at":"2016-11-11T03:32:09Z","due_on":null,"closed_at":null},"comments":5,"created_at":"2016-09-08T01:21:43Z","updated_at":"2016-11-11T03:32:09Z","closed_at":"2016-11-11T03:32:09Z","body":"Include inertia time of equilibration.\nActually, diffusion take place in equilibrium conditions. Equilibrium is very fast `te << tj`.\nWhich is proportional to Darken relation for interdiffusion.\n\nBase on EVENTS I can have time for a jump `tj`.\n\nHow to define time of equilibration te?\n\nTime for plastic flow is define as a `ds = exp(-t/tau_p)`. Relaxation of mechanical strains in crystal occurs with relaxation time `tau_p`.\n\nSimilar relation can be proposed for time of equlibration of vacancies.\n`dV = exp(-t/tau_e)`\nWhat does it mean?\n\nHere, `t` is a total time which is a sum of `tj`: `t = sum(tj)`\n\nAnother thing is a situation where we change a temperature. Then system should react on this change with some relaxation time.\n\nWhat is a situation with LRO. I just allow atom to jumps. I\nIt will be a similar situation where the change of LRO occure togeather with change of vacancy concentration.\n\nHow in this case define `tau_e`?\nIt must depends on t and tau :interrobang: \n\nProposition 1:\n\n```\n1) Calculate total time of simulation t. ( at the beggining t=0 );\n2) Calculate propability of equlibration Pe and probability of a jump Pj.\n          But I do not know what is Pj. I know what is time of this jump tj.\n3) Choose random number R = <0,1)\n4) If R < Pe then do equlibration. Else do the jump.\n5) Increase total time: t=t+tj.\n\n```\n\nHow it looks in reality?\nWithin time tj, spcific number of equlibration events will occure.\nHow to calculate what number of eq. events happans within time tj?\nFrom decay relation `dC = exp(-t/tau_e)`\n\nProposition 1:\n\n```\n1) Calculate total time of simulation t. ( at the beggining t=0 );\n2) Calculate number of eq. events Ne. \n3) Perform Ne equlibrateion events.\n5) Increase total time: t=t+tj.\n```\n\nC.B.D.\n\nTotal time can be monitored in `opcja`.\nNeq can be also calculated in `opcja`\n"}}
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