2c:null 2d:["$","title",null,{"children":"Nanocomposite Materials Combinations | Michael Deagen | Observable"}] 32:T435,md`# Nanocomposite Materials Combinations Polymer nanocomposites contain two or more constituent materials, where at least one of them has nano-scale dimensions. In the *MaterialsMine Knowledge Graph*, nanocomposite constituents are assigned one of three roles (*matrix*, *filler*, or *surface treatment*), and this Vega [force-directed layout](https://vega.github.io/vega/examples/force-directed-layout/) shows the occurrence of those material combinations among the nanocomposite sample data. Here, node color corresponds to the material role (**filler**, **matrix**, or **surface treatment**), node size corresponds to the number of occurrences of a particular material, and edge **weight** is related to the count of material combinations. Node and link data are retrieved directly from the knowledge graph using SPARQL queries, shown in the appendix. Hover over a node or edge to display tooltips.`33:Tfb2,viewof chart = embed( { "$schema": "https://vega.github.io/schema/vega/v5.json", "width": width*0.93, "height": 700, "padding": 0, "autosize": "none", "signals": [ { "name": "cx", "update": "width / 2" }, { "name": "cy", "update": "height / 2" }, { "description": "State variable for active node fix status.", "name": "fix", "value": false, "on": [ { "events": "symbol:mouseout[!event.buttons], window:mouseup", "update": "false" }, { "events": "symbol:mouseover", "update": "fix || true" }, { "events": "[symbol:mousedown, window:mouseup] > window:mousemove!", "update": "xy()", "force": true } ] }, { "description": "Graph node most recently interacted with.", "name": "node", "value": null, "on": [ { "events": "symbol:mouseover", "update": "fix === true ? item() : node" } ] }, { "description": "Flag to restart Force simulation upon data changes.", "name": "restart", "value": false, "on": [ {"events": {"signal": "fix"}, "update": "fix && fix.length"} ] } ], "data": [ { "name": "node-data", "format": {"type": "json", "property": "nodes"} }, { "name": "link-data", "format": {"type": "json", "property": "links"} } ], "scales": [ { "name": "color", "type": "ordinal", "domain": {"data": "node-data", "field": "Role"}, "range": {"scheme": "tableau10"} }, { "name": "strokeWidth", "type": "linear", "domain": {"data": "link-data", "field": "LinkCount"}, "range": [1,15] }, { "name": "size", "type": "linear", "domain": {"data": "node-data", "field": "NodeCount"}, "range": [20,4000] } ], "marks": [ { "name": "nodes", "type": "symbol", "zindex": 1, "from": {"data": "node-data"}, "on": [ { "trigger": "fix", "modify": "node", "values": "fix === true ? {fx: node.x, fy: node.y} : {fx: fix[0], fy: fix[1]}" }, { "trigger": "!fix", "modify": "node", "values": "{fx: null, fy: null}" } ], "encode": { "enter": { "fill": {"scale": "color", "field": "Role"}, "stroke": {"value": "white"}, "size": {"scale": "size", "field": "NodeCount"} }, "update": { "cursor": {"value": "pointer"}, "tooltip": { "signal": "{'Material': datum.Material, 'Role': datum.Role, 'Count': datum.NodeCount}" } } }, "transform": [ { "type": "force", "iterations": 300, "restart":{"signal":"restart"}, "velocityDecay": 0.6, "alpha":0.1, "static": false, "signal": "force", "forces": [ {"force": "center", "x": {"signal":"cx"}, "y": {"signal":"cy"}}, {"force": "collide", "radius": 20}, {"force": "nbody", "strength": 0}, {"force": "link", "links": "link-data", "distance": 50} ] } ] }, { "type": "path", "from": {"data": "link-data"}, "interactive": true, "encode": { "update": { "strokeWidth": {"scale": "strokeWidth", "field": "LinkCount"}, "stroke": {"value": "#ccc"}, "tooltip": { "signal": "{'Material 1': datum.sourceName, 'Material 2': datum.targetName, 'Number of Links': datum.LinkCount}" } } }, "transform": [ { "type": "linkpath", "require": {"signal": "force"}, "shape": "curve", "sourceX": "datum.source.x", "sourceY": "datum.source.y", "targetX": "datum.target.x", "targetY": "datum.target.y" } ] } ] } )34:[] 30:{"id":"409948b4f2c80b40","slug":"nanocomposite-materials-combinations","title":"Nanocomposite Materials Combinations","thumbnail":"ed1ff4a02543d0ae7d4f01b4714789ce9e46064950e51450b55514fe8a808ae4","access_level":"public","create_time":"$D2021-04-21T20:10:01.340Z","update_time":"$D2021-07-28T16:23:19.291Z","view_time":null,"first_public_time":"$D2021-05-06T22:06:48.649Z","has_unpublished_edits":null,"fork":true,"stars":0,"starred":false,"owner":{"type":"team","id":"5ca8a3812ea4a326","login":"mdeagen","name":"Michael Deagen","avatar_url":"https://avatars-next.observableusercontent.com/0b8e876e2eac1058faa6c1a2624346f3e72350b8a7e6c9acaec6a9ad920b0476","tier":"starter_2024","bio":"Materials science // data interaction"},"version":492,"publish_version":492,"role":null,"authored":false,"authors":[{"type":"individual","id":"d3611c0325cb99e9","login":"mdeagen","name":"Michael Deagen","avatar_url":"https://avatars-next.observableusercontent.com/0b8e876e2eac1058faa6c1a2624346f3e72350b8a7e6c9acaec6a9ad920b0476","tier":null,"bio":"Materials science // data interaction"}],"members":[{"type":"individual","id":"d3611c0325cb99e9","login":"mdeagen","name":"Michael Deagen","avatar_url":"https://avatars-next.observableusercontent.com/0b8e876e2eac1058faa6c1a2624346f3e72350b8a7e6c9acaec6a9ad920b0476","tier":null,"role":"editor"}],"comments":[],"custom_thumbnail":true,"trashed":false,"lapsed":null,"subscribed":null,"forks":2,"collection":null,"type":"notebook","body":{"titling":"auto","title":"Nanocomposite Materials Combinations","cells":[{"id":0,"value":"$32","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":20,"value":"$33","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":143,"value":"node_results = querySPARQLendpoint(endpoint, query_nodes)","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":271,"value":"nodes = node_results.map((x, i) => ({Material: x.Material, Role: x.Role, NodeCount: x.NodeCount, index: i}))","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":17,"value":"link_results = querySPARQLendpoint(endpoint, query_links)","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":292,"value":"link_sources = link_results.map(x => nodes.findIndex(y => ((y.Material === x.Material1) && (y.Role === x.Role1))))","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":297,"value":"link_targets = link_results.map(x => nodes.findIndex(y => ((y.Material === x.Material2) && (y.Role === x.Role2))))","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":248,"value":"links = link_results.map((x,i) => ({source: link_sources[i], target: link_targets[i], LinkCount: x.LinkCount, sourceName: x.Material1, targetName: x.Material2}))","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":83,"value":"md`## Appendix`","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":5,"value":"endpoint = \"https://materialsmine.org/wi/sparql\"","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":140,"value":"query_nodes = `PREFIX rdf: \nPREFIX rdfs: \nPREFIX sio: \nPREFIX nm: \nSELECT DISTINCT ?Material ?Role (COUNT(DISTINCT ?material) AS ?NodeCount) WHERE {\n ?material sio:hasRole [ a ?role ] .\n ?role rdfs:label ?Role .\n OPTIONAL{\n ?material sio:hasRole [ a ?role ] ;\n rdfs:label ?Material\n FILTER(?role = nm:SurfaceTreatment)\n }\n OPTIONAL{\n ?material sio:hasRole [ a ?role ] ;\n a [ rdfs:label ?Material ]\n FILTER((?role = nm:Filler) || (?role = nm:Matrix))\n }\n FILTER((?role = nm:Filler) || (?role = nm:Matrix) || (?role = nm:SurfaceTreatment))\n} \nGROUP BY ?Material ?Role\nORDER BY DESC (?NodeCount)`","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":11,"value":"query_links = `PREFIX rdf: \nPREFIX rdfs: \nPREFIX sio: \nPREFIX nm: \nSELECT DISTINCT ?Material1 ?Role1 ?Material2 ?Role2 (COUNT(DISTINCT ?sample) AS ?LinkCount) WHERE {\n ?sample a nm:PolymerNanocomposite ;\n sio:hasComponentPart ?filler .\n ?filler sio:hasRole [ a ?RoleF ] ;\n a [ rdfs:label ?Material1 ] .\n ?RoleF rdfs:label ?Role1 .\n OPTIONAL{\n ?filler sio:isSurroundedBy ?material .\n ?material sio:hasRole [ a ?role2 ] ;\n rdfs:label ?Material2 \n }\n OPTIONAL{\n ?sample sio:hasComponentPart ?material .\n ?material sio:hasRole [ a ?role2 ] ;\n a [ rdfs:label ?Material2 ]\n FILTER(?material != ?filler)\n }\n ?role2 rdfs:label ?Role2\n FILTER(?RoleF = nm:Filler)\n} \nGROUP BY ?Material1 ?Role1 ?Material2 ?Role2 \nORDER BY DESC (?LinkCount)`","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":12,"value":"chart.insert('node-data', nodes).run()","pinned":true,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":104,"value":"chart.insert('link-data', links).run()","pinned":true,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":15,"value":"import { querySPARQLendpoint } from '@mdeagen/sparql-select-query-function'","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"},{"id":6,"value":"embed = require(\"vega-embed@6\")","pinned":false,"hidden":false,"mode":"ojs","author":"$undefined","summary":"$undefined","tool":"$undefined","providerMetadata":"$undefined","attachments":"$undefined","output":"$undefined","database":"$undefined"}],"files":"$W34","stdlib":"1"}} 31:"$30:body"