{"corpus_id":44332393,"paper_sha":"0b602aa4f680a1748c76175a09ca90754e3e9cc4","doi":"10.1063/1.4941457","arxiv_id":"1510.05619","pmid":26874500,"pmcid":"PMC4752544","mag_id":2197079475,"dblp_id":null,"acl_id":null,"title":"Minimal physical requirements for crystal growth self-poisoning.","year":2015,"publication_date":"2015-10-19","venue":"Journal of Chemical Physics","journal":{"name":"The Journal of chemical physics","pages":"\n          064903\n        ","volume":"144 6"},"journal_issn":null,"journal_title":null,"publication_types":["JournalArticle"],"pubmed_pub_types":["Journal Article","Research Support, N.I.H., Extramural","Research Support, U.S. Gov't, Non-P.H.S."],"s2_fields_of_study":["Chemistry","Medicine","Materials Science","Physics"],"reference_count":43,"citation_count":20,"influential_citation_count":0,"is_open_access":true,"arxiv_categories":["cond-mat.stat-mech","cond-mat.soft"],"arxiv_license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","arxiv_journal_ref":"J. Chem. Phys. 144, 064903 (2016)","mesh_headings":[{"d":"Crystallization","mj":true,"ui":"D003460"},{"d":"Molecular Dynamics Simulation","mj":false,"ui":"D056004"},{"d":"Thermodynamics","mj":true,"ui":"D013816"}],"chemicals":null,"comments_corrections":null,"source_flags":5,"s2_open_access_pdf_url":"https://europepmc.org/articles/pmc4752544?pdf=render","s2_open_access_landing_url":"https://www.semanticscholar.org/paper/0b602aa4f680a1748c76175a09ca90754e3e9cc4","s2_open_access_license":null,"s2_open_access_status":"GREEN","pmc_open_access_pdf_url":null,"pmc_open_access_landing_url":null,"pmc_open_access_license":null,"pmc_open_access_status":null,"unpaywall_open_access_pdf_url":null,"unpaywall_open_access_landing_url":null,"unpaywall_open_access_license":null,"unpaywall_open_access_status":null,"abstract":"Self-poisoning is a kinetic trap that can impair or prevent crystal growth in a wide variety of physical settings. Here we use dynamic mean-field theory and computer simulation to argue that poisoning is ubiquitous because its emergence requires only the notion that a molecule can bind in two (or more) ways to a crystal; that those ways are not energetically equivalent; and that the associated binding events occur with sufficiently unequal probability. If these conditions are met then the steady-state growth rate is in general a non-monotonic function of the thermodynamic driving force for crystal growth, which is the characteristic of poisoning. Our results also indicate that relatively small changes of system parameters could be used to induce recovery from poisoning.","claims":[{"public_id":"cl_dd5c0ccc40d8c7c6e3e07f3411bf9004","status":"active","text":"If these conditions are met then the steady-state growth rate is in general a non-monotonic function of the thermodynamic driving force for crystal growth, which is the characteristic of poisoning.","confidence":0.9,"contributors":[{"id":32,"public_id":"7c402c1b98","public_label":"뀨 (7c402c1b98)","roles":["extraction"],"url":"https://sah.borca.ai/u/7c402c1b98"},{"id":1165,"public_id":"ezd9qvkvax","public_label":"The Reverser‮ (ezd9qvkvax)","roles":["review"],"url":"https://sah.borca.ai/u/ezd9qvkvax"},{"id":136,"public_id":"3c2apqe3ut","public_label":"Anonymous (3c2apqe3ut)","roles":["review"],"url":"https://sah.borca.ai/u/3c2apqe3ut"},{"id":171,"public_id":"b9tnx83g25","public_label":"eunsjani (b9tnx83g25)","roles":["review"],"url":"https://sah.borca.ai/u/b9tnx83g25"}],"url":"https://sah.borca.ai/claims/cl_dd5c0ccc40d8c7c6e3e07f3411bf9004"},{"public_id":"cl_fb20924eb116b84ae82dd755223619d4","status":"active","text":"Poisoning is ubiquitous because its emergence requires only that a molecule can bind in two or more ways to a crystal, those ways are not energetically equivalent, and the associated binding events occur with sufficiently unequal probability.","confidence":0.9,"contributors":[{"id":32,"public_id":"7c402c1b98","public_label":"뀨 (7c402c1b98)","roles":["extraction"],"url":"https://sah.borca.ai/u/7c402c1b98"},{"id":1165,"public_id":"ezd9qvkvax","public_label":"The Reverser‮ (ezd9qvkvax)","roles":["review"],"url":"https://sah.borca.ai/u/ezd9qvkvax"},{"id":136,"public_id":"3c2apqe3ut","public_label":"Anonymous (3c2apqe3ut)","roles":["review"],"url":"https://sah.borca.ai/u/3c2apqe3ut"},{"id":171,"public_id":"b9tnx83g25","public_label":"eunsjani (b9tnx83g25)","roles":["review"],"url":"https://sah.borca.ai/u/b9tnx83g25"}],"url":"https://sah.borca.ai/claims/cl_fb20924eb116b84ae82dd755223619d4"},{"public_id":"cl_451be89cd730b670324e95fed504b5be","status":"active","text":"Relatively small changes of system parameters could be used to induce recovery from poisoning.","confidence":0.85,"contributors":[{"id":32,"public_id":"7c402c1b98","public_label":"뀨 (7c402c1b98)","roles":["extraction"],"url":"https://sah.borca.ai/u/7c402c1b98"},{"id":1165,"public_id":"ezd9qvkvax","public_label":"The Reverser‮ (ezd9qvkvax)","roles":["review"],"url":"https://sah.borca.ai/u/ezd9qvkvax"},{"id":136,"public_id":"3c2apqe3ut","public_label":"Anonymous (3c2apqe3ut)","roles":["review"],"url":"https://sah.borca.ai/u/3c2apqe3ut"},{"id":171,"public_id":"b9tnx83g25","public_label":"eunsjani (b9tnx83g25)","roles":["review"],"url":"https://sah.borca.ai/u/b9tnx83g25"}],"url":"https://sah.borca.ai/claims/cl_451be89cd730b670324e95fed504b5be"},{"public_id":"cl_98bd5969abe568c78b9ba2bafc2a0417","status":"active","text":"Self-poisoning is a kinetic trap that can impair or prevent crystal growth in a wide variety of physical settings.","confidence":0.95,"contributors":[{"id":32,"public_id":"7c402c1b98","public_label":"뀨 (7c402c1b98)","roles":["extraction"],"url":"https://sah.borca.ai/u/7c402c1b98"},{"id":1165,"public_id":"ezd9qvkvax","public_label":"The Reverser‮ (ezd9qvkvax)","roles":["review"],"url":"https://sah.borca.ai/u/ezd9qvkvax"},{"id":136,"public_id":"3c2apqe3ut","public_label":"Anonymous (3c2apqe3ut)","roles":["review"],"url":"https://sah.borca.ai/u/3c2apqe3ut"},{"id":171,"public_id":"b9tnx83g25","public_label":"eunsjani (b9tnx83g25)","roles":["review"],"url":"https://sah.borca.ai/u/b9tnx83g25"}],"url":"https://sah.borca.ai/claims/cl_98bd5969abe568c78b9ba2bafc2a0417"}],"concepts":[{"public_id":"co_0c7e5820f65b019c83eede826cb74a34","status":"active","name":"crystal growth","description":"The process of crystal formation and enlargement, which can be affected by self-poisoning.","types":["process"],"aliases":[],"contributors":[{"id":32,"public_id":"7c402c1b98","public_label":"뀨 (7c402c1b98)","roles":["extraction"],"url":"https://sah.borca.ai/u/7c402c1b98"},{"id":1165,"public_id":"ezd9qvkvax","public_label":"The Reverser‮ (ezd9qvkvax)","roles":["review"],"url":"https://sah.borca.ai/u/ezd9qvkvax"},{"id":136,"public_id":"3c2apqe3ut","public_label":"Anonymous (3c2apqe3ut)","roles":["review"],"url":"https://sah.borca.ai/u/3c2apqe3ut"},{"id":171,"public_id":"b9tnx83g25","public_label":"eunsjani (b9tnx83g25)","roles":["review"],"url":"https://sah.borca.ai/u/b9tnx83g25"}],"url":"https://sah.borca.ai/concepts/co_0c7e5820f65b019c83eede826cb74a34"},{"public_id":"co_2f5535254285d4b4e8ecf1ec99c828c9","status":"active","name":"molecule binding","description":"The attachment of a molecule to a crystal surface in one or more ways, with energetically inequivalent binding modes leading to poisoning.","types":["mechanism"],"aliases":["binding"],"contributors":[{"id":32,"public_id":"7c402c1b98","public_label":"뀨 (7c402c1b98)","roles":["extraction"],"url":"https://sah.borca.ai/u/7c402c1b98"},{"id":1165,"public_id":"ezd9qvkvax","public_label":"The Reverser‮ (ezd9qvkvax)","roles":["review"],"url":"https://sah.borca.ai/u/ezd9qvkvax"},{"id":136,"public_id":"3c2apqe3ut","public_label":"Anonymous (3c2apqe3ut)","roles":["review"],"url":"https://sah.borca.ai/u/3c2apqe3ut"},{"id":171,"public_id":"b9tnx83g25","public_label":"eunsjani (b9tnx83g25)","roles":["review"],"url":"https://sah.borca.ai/u/b9tnx83g25"}],"url":"https://sah.borca.ai/concepts/co_2f5535254285d4b4e8ecf1ec99c828c9"},{"public_id":"co_4aaf95f3fbcd5aa1fc3f053723d3634b","status":"active","name":"system parameters","description":"Adjustable physical or chemical parameters that can be changed to induce recovery from self-poisoning.","types":["variable"],"aliases":[],"contributors":[{"id":32,"public_id":"7c402c1b98","public_label":"뀨 (7c402c1b98)","roles":["extraction"],"url":"https://sah.borca.ai/u/7c402c1b98"},{"id":1165,"public_id":"ezd9qvkvax","public_label":"The Reverser‮ (ezd9qvkvax)","roles":["review"],"url":"https://sah.borca.ai/u/ezd9qvkvax"},{"id":136,"public_id":"3c2apqe3ut","public_label":"Anonymous (3c2apqe3ut)","roles":["review"],"url":"https://sah.borca.ai/u/3c2apqe3ut"},{"id":171,"public_id":"b9tnx83g25","public_label":"eunsjani (b9tnx83g25)","roles":["review"],"url":"https://sah.borca.ai/u/b9tnx83g25"}],"url":"https://sah.borca.ai/concepts/co_4aaf95f3fbcd5aa1fc3f053723d3634b"},{"public_id":"co_8d4451f52d8b1adfe6a6df6765c8cae9","status":"active","name":"steady-state growth rate","description":"The long-term constant rate of crystal growth, which becomes non-monotonic under poisoning conditions.","types":["observable"],"aliases":[],"contributors":[{"id":32,"public_id":"7c402c1b98","public_label":"뀨 (7c402c1b98)","roles":["extraction"],"url":"https://sah.borca.ai/u/7c402c1b98"},{"id":1165,"public_id":"ezd9qvkvax","public_label":"The Reverser‮ (ezd9qvkvax)","roles":["review"],"url":"https://sah.borca.ai/u/ezd9qvkvax"},{"id":136,"public_id":"3c2apqe3ut","public_label":"Anonymous (3c2apqe3ut)","roles":["review"],"url":"https://sah.borca.ai/u/3c2apqe3ut"},{"id":171,"public_id":"b9tnx83g25","public_label":"eunsjani (b9tnx83g25)","roles":["review"],"url":"https://sah.borca.ai/u/b9tnx83g25"}],"url":"https://sah.borca.ai/concepts/co_8d4451f52d8b1adfe6a6df6765c8cae9"},{"public_id":"co_8fc73f06ad18a343496a4e9234acc40b","status":"active","name":"thermodynamic driving force","description":"The thermodynamic potential that drives crystal growth, whose relationship with growth rate becomes non-monotonic in the presence of poisoning.","types":["parameter"],"aliases":[],"contributors":[{"id":32,"public_id":"7c402c1b98","public_label":"뀨 (7c402c1b98)","roles":["extraction"],"url":"https://sah.borca.ai/u/7c402c1b98"},{"id":1165,"public_id":"ezd9qvkvax","public_label":"The Reverser‮ (ezd9qvkvax)","roles":["review"],"url":"https://sah.borca.ai/u/ezd9qvkvax"},{"id":136,"public_id":"3c2apqe3ut","public_label":"Anonymous (3c2apqe3ut)","roles":["review"],"url":"https://sah.borca.ai/u/3c2apqe3ut"},{"id":171,"public_id":"b9tnx83g25","public_label":"eunsjani (b9tnx83g25)","roles":["review"],"url":"https://sah.borca.ai/u/b9tnx83g25"}],"url":"https://sah.borca.ai/concepts/co_8fc73f06ad18a343496a4e9234acc40b"},{"public_id":"co_984407d27632d4157ea3736ba2df7d70","status":"active","name":"self-poisoning","description":"A kinetic trap that can impair or prevent crystal growth, characterized by a non-monotonic steady-state growth rate as a function of thermodynamic driving force.","types":["phenomenon"],"aliases":["poisoning"],"contributors":[{"id":32,"public_id":"7c402c1b98","public_label":"뀨 (7c402c1b98)","roles":["extraction"],"url":"https://sah.borca.ai/u/7c402c1b98"},{"id":1165,"public_id":"ezd9qvkvax","public_label":"The Reverser‮ (ezd9qvkvax)","roles":["review"],"url":"https://sah.borca.ai/u/ezd9qvkvax"},{"id":136,"public_id":"3c2apqe3ut","public_label":"Anonymous (3c2apqe3ut)","roles":["review"],"url":"https://sah.borca.ai/u/3c2apqe3ut"},{"id":171,"public_id":"b9tnx83g25","public_label":"eunsjani (b9tnx83g25)","roles":["review"],"url":"https://sah.borca.ai/u/b9tnx83g25"}],"url":"https://sah.borca.ai/concepts/co_984407d27632d4157ea3736ba2df7d70"}],"external_ids":{"DOI":"10.1063/1.4941457","ArXiv":"1510.05619","PubMed":26874500,"PubMedCentral":"PMC4752544","MAG":2197079475,"DBLP":null,"ACL":null},"open_access":{"is_open_access":true,"pdf_url":"https://europepmc.org/articles/pmc4752544?pdf=render","landing_url":"https://www.semanticscholar.org/paper/0b602aa4f680a1748c76175a09ca90754e3e9cc4","source":"semantic_scholar","pdf_url_source":"semantic_scholar_open_access_pdf","license":null,"status":"GREEN","reason":null},"reference_availability":{"status":"available","references_indexed":true,"full_text_available":true,"full_text_source":"arxiv","count_basis":"semantic_scholar_metadata","extraction_status":"not_applicable","reason":null},"source":{"provider":"episteme2","base_corpus":"semantic_scholar_dump","freshness_mode":"unknown","basis":["semantic_scholar_metadata","postgres_metadata"],"limits":["paper metadata is based on indexed upstream scholarly datasets","claims and concepts are available only for extracted papers","absence of claims or concepts means no extracted graph data is available in this response"],"status":"available","degraded":false,"degraded_reasons":[],"diagnostics":{"status":"available","degraded":false,"degraded_reasons":[],"metadata_status":"available","graph_status":"available","abstract_status":"available"},"source_flags":5},"paper_id":637182,"paper_uid":"815924b9-e686-4060-94f6-084a391b9951","canonical_identity":{"paper_id":637182,"paper_uid":"815924b9-e686-4060-94f6-084a391b9951","identity_status":"available","lookup_basis":"semantic_scholar_external_id","compatibility_path":"corpus_id"},"url":"https://sah.borca.ai/papers/44332393"}