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42 | 42 | },
|
43 | 43 | {
|
44 | 44 | "cell_type": "code",
|
45 |
| - "outputs": [], |
46 | 45 | "source": [
|
47 | 46 | "# Material and structure parameters\n",
|
48 | 47 | "TWIST_ANGLE_A = 2.64 # Twist angle in degrees for A material\n",
|
49 | 48 | "TWIST_ANGLE_B = 60 + 2.64 # Twist angle in degrees for B material\n",
|
50 | 49 | "\n",
|
51 | 50 | "# Nanoribbons parameters\n",
|
52 | 51 | "\n",
|
53 |
| - "RIBBON_WIDTH = 100 # Width of the nanoribbon in Angstroms\n", |
54 |
| - "RIBBON_LENGTH = 100 # Length of the nanoribbon in Angstrom\n", |
| 52 | + "RIBBON_WIDTH = 40 # Width of the nanoribbon in unit cells\n", |
| 53 | + "RIBBON_LENGTH = 40 # Length of the nanoribbon in unit cells\n", |
55 | 54 | "\n",
|
56 | 55 | "# Interface parameters\n",
|
57 | 56 | "INTERFACE_DISTANCE = 3.23 # Distance between layers in Angstroms\n",
|
|
65 | 64 | "collapsed": false
|
66 | 65 | },
|
67 | 66 | "id": "47af0a587ce80b91",
|
| 67 | + "outputs": [], |
68 | 68 | "execution_count": null
|
69 | 69 | },
|
70 | 70 | {
|
|
79 | 79 | },
|
80 | 80 | {
|
81 | 81 | "cell_type": "code",
|
82 |
| - "outputs": [], |
83 | 82 | "source": [
|
84 | 83 | "import sys\n",
|
85 | 84 | "\n",
|
|
95 | 94 | "collapsed": false
|
96 | 95 | },
|
97 | 96 | "id": "f67b53c0f60f257c",
|
| 97 | + "outputs": [], |
98 | 98 | "execution_count": null
|
99 | 99 | },
|
100 | 100 | {
|
|
110 | 110 | },
|
111 | 111 | {
|
112 | 112 | "cell_type": "code",
|
113 |
| - "outputs": [], |
114 | 113 | "source": [
|
115 | 114 | "from mat3ra.made.material import Material\n",
|
116 | 115 | "from mat3ra.standata.materials import Materials\n",
|
|
130 | 129 | "collapsed": false
|
131 | 130 | },
|
132 | 131 | "id": "f1c2ac4b7553961b",
|
| 132 | + "outputs": [], |
133 | 133 | "execution_count": null
|
134 | 134 | },
|
135 | 135 | {
|
|
145 | 145 | },
|
146 | 146 | {
|
147 | 147 | "cell_type": "code",
|
148 |
| - "outputs": [], |
149 | 148 | "source": [
|
150 | 149 | "from mat3ra.made.tools.build.interface.builders import NanoRibbonTwistedInterfaceBuilder\n",
|
151 | 150 | "from mat3ra.made.tools.build.interface.configuration import NanoRibbonTwistedInterfaceConfiguration\n",
|
|
174 | 173 | "collapsed": false
|
175 | 174 | },
|
176 | 175 | "id": "80ac5dd96d8622b7",
|
| 176 | + "outputs": [], |
177 | 177 | "execution_count": null
|
178 | 178 | },
|
179 | 179 | {
|
|
188 | 188 | },
|
189 | 189 | {
|
190 | 190 | "cell_type": "code",
|
191 |
| - "outputs": [], |
192 | 191 | "source": [
|
193 | 192 | "interface_a = builder.get_material(config_a)\n",
|
194 | 193 | "interface_b = builder.get_material(config_b)\n",
|
|
203 | 202 | "collapsed": false
|
204 | 203 | },
|
205 | 204 | "id": "10f0a8aac5fec58f",
|
| 205 | + "outputs": [], |
206 | 206 | "execution_count": null
|
207 | 207 | },
|
208 | 208 | {
|
|
217 | 217 | },
|
218 | 218 | {
|
219 | 219 | "cell_type": "code",
|
220 |
| - "outputs": [], |
221 | 220 | "source": [
|
222 | 221 | "visualize_materials([interface_a, interface_b], repetitions=VISUALIZE_REPETITIONS)\n",
|
223 | 222 | "visualize_materials([interface_a, interface_b], repetitions=VISUALIZE_REPETITIONS, rotation=\"-90x\")"
|
|
226 | 225 | "collapsed": false
|
227 | 226 | },
|
228 | 227 | "id": "c4049a69b2dcbaa1",
|
| 228 | + "outputs": [], |
229 | 229 | "execution_count": null
|
230 | 230 | },
|
231 | 231 | {
|
|
240 | 240 | },
|
241 | 241 | {
|
242 | 242 | "cell_type": "code",
|
243 |
| - "outputs": [], |
244 | 243 | "source": [
|
245 | 244 | "from utils.jupyterlite import download_content_to_file, set_materials\n",
|
246 | 245 | "\n",
|
|
252 | 251 | "collapsed": false
|
253 | 252 | },
|
254 | 253 | "id": "a64a81bb1ab4d47d",
|
| 254 | + "outputs": [], |
255 | 255 | "execution_count": null
|
256 | 256 | }
|
257 | 257 | ],
|
|
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