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| 1 | Predicting superhard materials via a machine learning informed evolutionary structure search显示文摘The computational prediction of superhard materials would enable the in silico design of compounds that could be used in a wide variety of technological applications.Herein,good agreement was found between experimental Vickers hardnesses,Hv,of a wide range of materials and those calculated by three macroscopic hardness models that employ the shear and/or bulk moduli obtained from:(i)first principles via AFLOW-AEL(AFLOW Automatic Elastic Library),and(ii)a machine learning(ML)model trained on materials within the AFLOW repository.Because H^(ML)_(v) values can be quickly estimated,they can be used in conjunction with an evolutionary search to predict stable,superhard materials.This methodology is implemented in the XTALOPT evolutionary algorithm.Each crystal is minimized to the nearest local minimum,and its Vickers hardness is computed via a linear relationship with the shear modulus discovered by Teter.Both the energy/enthalpy and H^(ML)_(v),Teter are employed to determine a structure’s fitness.This implementation is applied towards the carbon system,and 43 new superhard phases are found.A topological analysis reveals that phases estimated to be slightly harder than diamond contain a substantial fraction of diamond and/or lonsdaleite. | Patrick Avery Xiaoyu Wang Corey Oses Eric Gossett Davide M.Proserpio Cormac Toher Stefano Curtarolo Eva Zurek | 2019 | npj Computational Materials2019，，1： | 7 |
| 2 | Knowledge and heuristic-based modeling of laser-scanned trees显示文摘 | Hui Xu Nathan Gossett Baoquan Chen | 2007 | ACM Transactions on Graphics (TOG)2007，，4： | 4 |
| 3 | Sputtering observation during binary alloy production by ion implantion 显示文摘 | Reynolds G W Knudson A R Gossett G R | 1981 | Nucl Instr Meth1981，，： | 2 |
| 4 | The role of periodic agitation and water addition in managing moisture limitations during high-solids aerobic decomposition显示文摘 | Walker L P Nock T D Gossett J M VanderGheynst J S | 1999 | Process Biochemistry1999，34，： | 2 |
| 5 | Status of safety pharmacology in the pharmaceutical industry - 1993 显示文摘 | Kinter LB Gossett KA Kerns WD | 1994 | Drug Develop Res1994，32，： | 1 |
| 6 | Antioxidant response to NaCI stress in sah-tolerant and sahsensitive cultivars of cotton显示文摘 | Gossett D R Millhollon E P Lucas M C | 1994 | Crop Sci1994，34，： | 1 |
| 7 | Indications, tolerance and complications of a sirolimus and calcineufin inhibitor regimen: intermediate experience in pediatric heart transplantation recipients 显示文摘 | Matthews K Gossett J Kappelle PV | 2010 | Pediatr Transplant2010，14，3： | 1 |
| 8 | Knowledge and heuristic - based modeling of laser - scanned trees 显示文摘 | Xu H Gossett N Chen B | 2007 | ACM Transactions on Graphics2007，26，4： | 1 |
| 9 | The safe treatment,monitoring and management of severe traumatic brain injury patients in a monoplace chamber显示文摘 | Gossett WA Rockswold GL Rockswold SB | 2010 | Undersea Hyperb Med2010，37，1： | 1 |
| 10 | A kinetic model for anaerobic digestion of biological sludge显示文摘 | Pavlostathis S G Gossett J M | 1985 | Biotechnology and Bioengineering1985，28，10： | 1 |
| 11 | Antioxidant Response to NaCI Stress in Salt-Tolerant and Salt-Sensitive Cultivars of Cotton显示文摘 | DR Gossett EP Millhollon M Lucas | 1994 | Crop Science1994，34，3： | 1 |
| 12 | Prediction accuracy of computer- assisted surgical visual treatment objectives as compared with conventional visual treatment objectives显示文摘 | Gossett CB Preston CB Dunford R | 2005 | J Oral Maxillofac Surg2005，63，5： | 1 |
| 13 | A new myocyte-specific enhancer-binding factor that recohnizes a conserved element associated with multiple muscle-specific genes显示文摘 | GOSSETT LA KELVIN DJ STERNBERG EA | 1989 | Mol Cell Biol1989，9，11： | 1 |
| 14 | 显示文摘 | Pavlostathis S G Gossett J M A preliminary conversion mechanisms in anaerobic digestion of biological sludges | 1986 | Journal of Environmental Engineering ASCE1986，，114： | 1 |
| 15 | A case-control study of methylenetetrahydrofolate reductase polymorphisms in cervical carcinogenesis 显示文摘 | Rao GG Kurien A Gossett D | 2006 | Gynecol Oncol2006，101，2： | 1 |
| 16 | The role of periodic agitation and water addition in managing moisture limitations during high-solids aerobie decomposition显示文摘 | Walker L P Neck T D Gossett J M | 1999 | Process Biochemistry1999，34，： | 1 |
| 17 | Smoking intensity and lipoprotein abnormalities in active smokers 显示文摘 | Gossett LK Johnson HM Piper ME | 2009 | J Clin Lipidol2009，3，： | 1 |
| 18 | Sputtering bservation during binary alloy production by ion implantation显示文摘 | Reynolds G W Kundson A G Gossett G R | 1981 | Nucl Instr Meth1981，182，183： | 1 |
| 19 | Single Event Phenomena in Atmospheric Neutron Environments显示文摘 | GOSSETT C A HUGHLOCK B W | 1993 | Nuclear Science1993，40，6： | 1 |
| 20 | Antioxidant response to NaCl in salt-tolerant and Salt-sensitive cultivars of cotton显示文摘 | Gossett D R Millhollon E P Lucas M C | 1994 | Crop Science1994，34，： | 1 |
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