| Year |
Citation |
Score |
| 2022 |
Fuller J, An Q, Fortunelli A, Goddard WA. Reaction Mechanisms, Kinetics, and Improved Catalysts for Ammonia Synthesis from Hierarchical High Throughput Catalyst Design. Accounts of Chemical Research. PMID 35387450 DOI: 10.1021/acs.accounts.1c00789 |
0.347 |
|
| 2021 |
An Q, Johnson WL, Samwer K, Corona SL, Shen Y, Goddard WA. The L-G phase transition in binary Cu-Zr metallic liquids. Physical Chemistry Chemical Physics : Pccp. 24: 497-506. PMID 34904146 DOI: 10.1039/d1cp04157f |
0.326 |
|
| 2021 |
Lindley SA, An Q, Goddard WA, Cooper JK. Spatiotemporal Temperature and Pressure in Thermoplasmonic Gold Nanosphere-Water Systems. Acs Nano. PMID 33621047 DOI: 10.1021/acsnano.0c09804 |
0.343 |
|
| 2021 |
Karre R, Guo D, Song S, Hu Y, Liu Y, Guo Q, Liu P, Wang X, An Q, Reddy KM. Vacancy-driven shear localization in silicon nitride Scripta Materialia. 190: 163-167. DOI: 10.1016/J.Scriptamat.2020.08.052 |
0.36 |
|
| 2020 |
An Q, McDonald M, Fortunelli A, Goddard WA. Controlling the Shapes of Nanoparticles by Dopant-Induced Enhancement of Chemisorption and Catalytic Activity: Application to Fe-Based Ammonia Synthesis. Acs Nano. PMID 33355457 DOI: 10.1021/acsnano.0c09346 |
0.317 |
|
| 2020 |
An Q, Mcdonald M, Fortunelli A, Goddard WA. Si-doped Fe Catalyst for Ammonia Synthesis at Dramatically Decreased Pressures and Temperatures. Journal of the American Chemical Society. PMID 32271551 DOI: 10.1021/Jacs.9B13996 |
0.414 |
|
| 2020 |
An Q, Johnson WL, Samwer K, Corona SL, Goddard WA. First Order Phase Transition in Liquid Ag to the Heterogeneous G-Phase. The Journal of Physical Chemistry Letters. PMID 31903768 DOI: 10.1021/Acs.Jpclett.9B03699 |
0.421 |
|
| 2020 |
Guo D, Zybin SV, Goddard WA, An Q. Enhancing the Detonation Properties of Liquid Nitromethane by Adding Nitro-Rich Molecule Nitryl Cyanide The Journal of Physical Chemistry C. 124: 9787-9794. DOI: 10.1021/Acs.Jpcc.0C02010 |
0.413 |
|
| 2020 |
Li G, An Q, Aydemir U, Morozov SI, Duan B, Zhai P, Zhang Q, Goddard WA. Intrinsic mechanical behavior of MgAgSb thermoelectric material: An ab initio study Journal of Materiomics. 6: 24-32. DOI: 10.1016/J.Jmat.2019.11.002 |
0.458 |
|
| 2020 |
He Y, Shen Y, Tang B, An Q. Enhanced strength and ductility of superhard boron carbide through injecting electrons Journal of the European Ceramic Society. 40: 4428-4435. DOI: 10.1016/J.Jeurceramsoc.2020.06.004 |
0.307 |
|
| 2020 |
Wang X, Shen Y, Song S, Liu P, An Q, Reddy KM. Atomic-scale understanding of the γ/α2 interface in a TiAl alloy Journal of Alloys and Compounds. 846: 156381. DOI: 10.1016/J.Jallcom.2020.156381 |
0.324 |
|
| 2020 |
Li B, Shen Y, An Q. Structural origin of reversible martensitic transformation and reversible twinning in NiTi shape memory alloy Acta Materialia. 199: 240-252. DOI: 10.1016/J.Actamat.2020.08.039 |
0.337 |
|
| 2020 |
An Q, Johnson WL, Samwer K, Corona SL, Goddard WA. Formation of two glass phases in binary Cu-Ag liquid Acta Materialia. 195: 274-281. DOI: 10.1016/J.Actamat.2020.05.060 |
0.421 |
|
| 2020 |
Huang M, Li G, An Q, Zhai P, Goddard WA. Structural failure of layered thermoelectric In4Se3-δ semiconductors is dominated by shear slippage Acta Materialia. 187: 84-90. DOI: 10.1016/J.Actamat.2020.01.045 |
0.459 |
|
| 2020 |
Gaffney AM, An Q, Goddard WA, Diao W, Glazoff MV. Toward Concurrent Engineering of the M1-Based Catalytic Systems for Oxidative Dehydrogenation (ODH) of Alkanes Topics in Catalysis. 63: 1667-1681. DOI: 10.1007/S11244-020-01327-7 |
0.415 |
|
| 2019 |
Zhou J, Yang Y, Yang Y, Kim DS, Yuan A, Tian X, Ophus C, Sun F, Schmid AK, Nathanson M, Heinz H, An Q, Zeng H, Ercius P, Miao J. Observing crystal nucleation in four dimensions using atomic electron tomography. Nature. 570: 500-503. PMID 31243385 DOI: 10.1038/S41586-019-1317-X |
0.334 |
|
| 2019 |
Tang B, He Y, Goddard WA, An Q. First principles predicting enhanced ductility of boride carbide through magnesium microalloying Journal of the American Ceramic Society. 102: 5514-5523. DOI: 10.1111/Jace.16383 |
0.428 |
|
| 2019 |
Wang H, Morozov SI, Goddard WA, An Q. Light irradiation induced brittle-to-ductile and ductile-to-brittle transition in inorganic semiconductors Physical Review B. 99. DOI: 10.1103/Physrevb.99.161202 |
0.387 |
|
| 2019 |
Shen Y, Wang H, An Q. Enhanced ductility of III-V covalent semiconductors from electrons and holes Journal of Applied Physics. 126: 195105. DOI: 10.1063/1.5128237 |
0.344 |
|
| 2019 |
Mcdonald M, Fuller J, Fortunelli A, Goddard WA, An Q. Highly Efficient Ni-Doped Iron Catalyst for Ammonia Synthesis from Quantum-Mechanics-Based Hierarchical High-Throughput Catalyst Screening The Journal of Physical Chemistry C. 123: 17375-17383. DOI: 10.1021/Acs.Jpcc.9B04386 |
0.413 |
|
| 2019 |
Ye C, An Q, Zhang W, Goddard WA. Initial Decomposition of HMX Energetic Material from Quantum Molecular Dynamics and the Molecular Structure Transition of β-HMX to δ-HMX The Journal of Physical Chemistry C. 123: 9231-9236. DOI: 10.1021/Acs.Jpcc.9B01169 |
0.441 |
|
| 2019 |
Madhav Reddy K, Guo D, Lahkar S, Cheng C, Shinoda Y, An Q, Wang X. Graphite interface mediated grain-boundary sliding leads to enhanced mechanical properties of nanocrystalline silicon carbide Materialia. 7: 100394. DOI: 10.1016/J.Mtla.2019.100394 |
0.337 |
|
| 2019 |
Gao Y, Ma Y, An Q, Levitas V, Zhang Y, Feng B, Chaudhuri J, Goddard WA. Shear driven formation of nano-diamonds at sub-gigapascals and 300 K Carbon. 146: 364-368. DOI: 10.1016/J.Carbon.2019.02.012 |
0.438 |
|
| 2019 |
Li G, He J, An Q, Morozov SI, Hao S, Zhai P, Zhang Q, Goddard WA, Snyder GJ. Dramatically reduced lattice thermal conductivity of Mg2Si thermoelectric material from nanotwinning Acta Materialia. 169: 9-14. DOI: 10.1016/J.Actamat.2019.02.041 |
0.424 |
|
| 2018 |
Guo D, An Q. Thermal Stability and Detonation Properties of Potassium 4,4'-Bis(dinitromethyl)-3,3'-Azofurazanate, an Environmental Friendly Energetic Three-Dimensional Metal-Organic Framework. Acs Applied Materials & Interfaces. PMID 30525412 DOI: 10.1021/Acsami.8B19611 |
0.319 |
|
| 2018 |
An Q, Shen Y, Fortunelli A, Goddard WA. QM-Mechanism-Based Hierarchical High-Throughput in silico Screening Catalyst Design for Ammonia Synthesis. Journal of the American Chemical Society. PMID 30479122 DOI: 10.1021/Jacs.8B10499 |
0.42 |
|
| 2018 |
Guo D, Song S, Luo R, Goddard WA, Chen M, Reddy KM, An Q. Grain Boundary Sliding and Amorphization are Responsible for the Reverse Hall-Petch Relation in Superhard Nanocrystalline Boron Carbide. Physical Review Letters. 121: 145504. PMID 30339450 DOI: 10.1103/Physrevlett.121.145504 |
0.482 |
|
| 2018 |
Cheng T, Jaramillo-Botero A, An Q, Ilyin DV, Naserifar S, Goddard WA. First principles-based multiscale atomistic methods for input into first principles nonequilibrium transport across interfaces. Proceedings of the National Academy of Sciences of the United States of America. PMID 30076227 DOI: 10.1073/Pnas.1800035115 |
0.447 |
|
| 2018 |
Yang X, Goddard WA, An Q. Asymmetric twins in boron rich boron carbide. Physical Chemistry Chemical Physics : Pccp. PMID 29717734 DOI: 10.1039/C8Cp01429A |
0.48 |
|
| 2018 |
Qian J, An Q, Fortunelli A, Nielsen RJ, Goddard WA. Reaction mechanism and kinetics for ammonia synthesis on the Fe(111) Surface. Journal of the American Chemical Society. PMID 29701965 DOI: 10.1021/Jacs.7B13409 |
0.658 |
|
| 2018 |
Sarker S, Isheim D, King G, An Q, Chandra D, Morozov SI, Page K, Wermer JN, Seidman DN, Dolan M. Icosahedra clustering and short range order in Ni-Nb-Zr amorphous membranes. Scientific Reports. 8: 6084. PMID 29666391 DOI: 10.1038/S41598-018-24433-9 |
0.305 |
|
| 2018 |
Yang X, Coleman SP, Lasalvia J, Goddard WA, An Q. Shear-Induced Brittle Failure along Grain Boundaries in Boron Carbide. Acs Applied Materials & Interfaces. PMID 29346723 DOI: 10.1021/Acsami.7B16782 |
0.477 |
|
| 2018 |
Li G, An Q, Morozov SI, Duan B, Zhai P, Zhang Q, Goddard III WA, Snyder GJ. Determining ideal strength and failure mechanism of thermoelectric CuInTe2 through quantum mechanics Journal of Materials Chemistry A. 6: 11743-11750. DOI: 10.1039/C8Ta03837F |
0.313 |
|
| 2018 |
Guo D, Guo D, Huang F, An Q. Influence of Silicon on the Detonation Performance of Energetic Materials from First-Principles Molecular Dynamics Simulations The Journal of Physical Chemistry C. 122: 24481-24487. DOI: 10.1021/Acs.Jpcc.8B08305 |
0.349 |
|
| 2018 |
Yang X, Goddard WA, An Q. Structure and Properties of Boron-Very-Rich Boron Carbides: B12 Icosahedra Linked through Bent CBB Chains The Journal of Physical Chemistry C. 122: 2448-2453. DOI: 10.1021/Acs.Jpcc.7B11767 |
0.446 |
|
| 2018 |
Li G, An Q, Morozov SI, Duan B, Goddard WA, Zhai P, Zhang Q, Jeffrey Snyder G. Mechanical softening of thermoelectric semiconductor Mg2Si from nanotwinning Scripta Materialia. 157: 90-94. DOI: 10.1016/J.Scriptamat.2018.08.002 |
0.414 |
|
| 2018 |
Khan AU, Etzold AM, Yang X, Domnich V, Xie KY, Hwang C, Behler KD, Chen M, An Q, LaSalvia JC, Hemker KJ, Goddard WA, Haber RA. Locating Si atoms in Si-doped boron carbide: A route to understand amorphization mitigation mechanism Acta Materialia. 157: 106-113. DOI: 10.1016/J.Actamat.2018.07.021 |
0.438 |
|
| 2018 |
Li G, Aydemir U, Morozov SI, Miller SA, An Q, Goddard WA, Zhai P, Zhang Q, Snyder GJ. Mechanical properties in thermoelectric oxides: Ideal strength, deformation mechanism, and fracture toughness Acta Materialia. 149: 341-349. DOI: 10.1016/J.Actamat.2018.02.063 |
0.409 |
|
| 2018 |
Kunka C, An Q, Rudawski N, Subhash G, Zheng J, Halls V, Singh J. Nanotwinning and amorphization of boron suboxide Acta Materialia. 147: 195-202. DOI: 10.1016/J.Actamat.2018.01.048 |
0.343 |
|
| 2017 |
Li G, Morozov SI, Zhang Q, An Q, Zhai P, Snyder GJ. Enhanced Strength Through Nanotwinning in the Thermoelectric Semiconductor InSb. Physical Review Letters. 119: 215503. PMID 29219419 DOI: 10.1103/Physrevlett.119.215503 |
0.358 |
|
| 2017 |
Li G, Aydemir U, Morozov SI, Wood M, An Q, Zhai P, Zhang Q, Goddard WA, Snyder GJ. Superstrengthening Bi_{2}Te_{3} through Nanotwinning. Physical Review Letters. 119: 085501. PMID 28952748 DOI: 10.1103/Physrevlett.119.085501 |
0.465 |
|
| 2017 |
An Q, Madhav Reddy K, Xie KY, Hemker KJ, Goddard WA. Erratum: New Ground-State Crystal Structure of Elemental Boron [Phys. Rev. Lett. 117, 085501 (2016)]. Physical Review Letters. 118: 159902. PMID 28452528 DOI: 10.1103/Physrevlett.118.159902 |
0.384 |
|
| 2017 |
An Q, Reddy KM, Xie KY, Hemker KJ, Goddard WA. An et al. Reply. Physical Review Letters. 118: 089602. PMID 28282183 DOI: 10.1103/Physrevlett.118.089602 |
0.389 |
|
| 2017 |
Cheng T, Goddard WA, An Q, Xiao H, Merinov B, Morozov S. Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells. Physical Chemistry Chemical Physics : Pccp. PMID 28067933 DOI: 10.1039/C6Cp08055C |
0.56 |
|
| 2017 |
Chen DZ, An Q, Goddard WA, Greer JR. Ordering and dimensional crossovers in metallic glasses and liquids Physical Review B. 95. DOI: 10.1103/Physrevb.95.024103 |
0.428 |
|
| 2017 |
An Q, Goddard WA. Nanotwins soften boron-rich boron carbide (B13C2) Applied Physics Letters. 110: 111902. DOI: 10.1063/1.4978644 |
0.431 |
|
| 2017 |
An Q, Goddard WA. Ductility in Crystalline Boron Subphosphide (B12P2) for Large Strain Indentation The Journal of Physical Chemistry C. 121: 16644-16649. DOI: 10.1021/Acs.Jpcc.7B05429 |
0.46 |
|
| 2017 |
An Q, Goddard WA. Improved Ductility of B12 Icosahedra-based Superhard Materials through Icosahedral Slip The Journal of Physical Chemistry C. 121: 11831-11838. DOI: 10.1021/Acs.Jpcc.7B01761 |
0.456 |
|
| 2016 |
An Q, Goddard WA, Xie KY, Sim GD, Hemker KJ, Munhollon T, Toksoy MF, Haber RA. Superstrength through Nanotwinning. Nano Letters. 16: 7573-7579. PMID 27960511 DOI: 10.1021/Acs.Nanolett.6B03414 |
0.482 |
|
| 2016 |
Xie KY, An Q, Sato T, Breen AJ, Ringer SP, Goddard WA, Cairney JM, Hemker KJ. Breaking the icosahedra in boron carbide. Proceedings of the National Academy of Sciences of the United States of America. 113: 12012-12016. PMID 27790982 DOI: 10.1073/Pnas.1607980113 |
0.453 |
|
| 2016 |
An Q, Reddy KM, Xie KY, Hemker KJ, Goddard WA. New Ground-State Crystal Structure of Elemental Boron. Physical Review Letters. 117: 085501. PMID 27588864 DOI: 10.1103/Physrevlett.117.085501 |
0.414 |
|
| 2016 |
An Q, Samwer K, Demetriou MD, Floyd MC, Duggins DO, Johnson WL, Goddard WA. How the toughness in metallic glasses depends on topological and chemical heterogeneity. Proceedings of the National Academy of Sciences of the United States of America. PMID 27307438 DOI: 10.1073/Pnas.1607506113 |
0.46 |
|
| 2016 |
An Q, Kolan MR, Dong H, Chen M, Oganov AR, Goddard Iii WA. Nanotwinned Boron Suboxide (B6O): New Ground State of B6O. Nano Letters. PMID 27253270 DOI: 10.1021/Acs.Nanolett.6B01204 |
0.315 |
|
| 2016 |
An Q, Reddy KM, Qian J, Hemker KJ, Chen MW, Goddard Iii WA. Nucleation of amorphous shear bands at nanotwins in boron suboxide. Nature Communications. 7: 11001. PMID 27001922 DOI: 10.1038/Ncomms11001 |
0.355 |
|
| 2016 |
Meng X, Wang L, Liu D, Wen X, Zhu Q, Goddard WA, An Q. Discovery of Fe2P-Type Ti(Zr/Hf)2O6 Photocatalysts toward Water Splitting Chemistry of Materials. 28: 1335-1342. DOI: 10.1021/Acs.Chemmater.5B04256 |
0.429 |
|
| 2016 |
Li G, An Q, Goddard WA, Hanus R, Zhai P, Zhang Q, Snyder GJ. Atomistic explanation of brittle failure of thermoelectric skutterudite CoSb3 Acta Materialia. 103: 775-780. DOI: 10.1016/J.Actamat.2015.11.021 |
0.448 |
|
| 2015 |
Guo D, Zybin SV, An Q, Goddard Iii WA, Huang F. Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 26688211 DOI: 10.1039/C5Cp04516A |
0.333 |
|
| 2015 |
Ablikim M, Achasov MN, Ai XC, Albayrak O, Albrecht M, Ambrose DJ, Amoroso A, An FF, An Q, Bai JZ, Ferroli RB, Ban Y, Bennett DW, Bennett JV, Bertani M, et al. Observation of a Neutral Structure near the DD[over ¯]^{*} Mass Threshold in e^{+}e^{-}→(DD[over ¯]^{*})^{0}π^{0} at sqrt[s]=4.226 and 4.257 GeV. Physical Review Letters. 115: 222002. PMID 26650295 DOI: 10.1103/Physrevlett.115.222002 |
0.362 |
|
| 2015 |
Ablikim M, Achasov MN, Ai XC, Albayrak O, Albrecht M, Ambrose DJ, Amoroso A, An FF, An Q, Bai JZ, Baldini Ferroli R, Ban Y, Bennett DW, Bennett JV, Bertani M, et al. Measurement of the Absolute Branching Fraction for Λ_{c}^{+}→Λe^{+}ν_{e}. Physical Review Letters. 115: 221805. PMID 26650293 DOI: 10.1103/Physrevlett.115.221805 |
0.36 |
|
| 2015 |
Xie KY, An Q, Toksoy MF, McCauley JW, Haber RA, Goddard WA, Hemker KJ. Atomic-Level Understanding of "Asymmetric Twins" in Boron Carbide. Physical Review Letters. 115: 175501. PMID 26551123 DOI: 10.1103/Physrevlett.115.175501 |
0.439 |
|
| 2015 |
Chen DZ, Shi CY, An Q, Zeng Q, Mao WL, Goddard WA, Greer JR. Fractal atomic-level percolation in metallic glasses. Science (New York, N.Y.). 349: 1306-10. PMID 26383945 DOI: 10.1126/Science.Aab1233 |
0.45 |
|
| 2015 |
An Q, Goddard WA. Atomistic Origin of Brittle Failure of Boron Carbide from Large-Scale Reactive Dynamics Simulations: Suggestions toward Improved Ductility. Physical Review Letters. 115: 105501. PMID 26382683 DOI: 10.1103/Physrevlett.115.105501 |
0.487 |
|
| 2015 |
Mendoza-Cortes JL, An Q, Goddard WA, Ye C, Zybin S. Prediction of the crystal packing of di-tetrazine-tetroxide (DTTO) energetic material. Journal of Computational Chemistry. PMID 25788128 DOI: 10.1002/Jcc.23893 |
0.421 |
|
| 2015 |
Chen DZ, Gu XW, An Q, Goddard WA, Greer JR. Ductility and work hardening in nano-sized metallic glasses Applied Physics Letters. 106. DOI: 10.1063/1.4907773 |
0.426 |
|
| 2015 |
Ye CC, An Q, Cheng T, Zybin S, Naserifar S, Ju XH, Goddard WA. Reaction mechanism from quantum molecular dynamics for the initial thermal decomposition of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N), promising green energetic materials Journal of Materials Chemistry A. 3: 12044-12050. DOI: 10.1039/C5Ta02486B |
0.479 |
|
| 2015 |
Ye CC, An Q, Goddard WA, Cheng T, Liu WG, Zybin SV, Ju XH. Initial decomposition reaction of di-tetrazine-tetroxide (DTTO) from quantum molecular dynamics: Implications for a promising energetic material Journal of Materials Chemistry A. 3: 1972-1978. DOI: 10.1039/C4Ta05676K |
0.412 |
|
| 2015 |
An Q, Jaramillo-Botero A, Liu W, Goddard WA. Reaction Pathways of GaN (0001) Growth from Trimethylgallium and Ammonia versus Triethylgallium and Hydrazine Using First Principle Calculations The Journal of Physical Chemistry C. 119: 4095-4103. DOI: 10.1021/Jp5116405 |
0.419 |
|
| 2015 |
An Q, Cheng T, Goddard WA, Zybin SV. Anisotropic Impact Sensitivity and Shock Induced Plasticity of TKX-50 (Dihydroxylammonium 5,5′-bis(tetrazole)-1,1′-diolate) Single Crystals: From Large-Scale Molecular Dynamics Simulations The Journal of Physical Chemistry C. 119: 2196-2207. DOI: 10.1021/Jp510951S |
0.499 |
|
| 2015 |
Ye C, An Q, Goddard WA, Cheng T, Zybin S, Ju X. Initial Decomposition Reactions of Bicyclo-HMX [BCHMX or cis-1,3,4,6-Tetranitrooctahydroimidazo-[4,5-d]imidazole] from Quantum Molecular Dynamics Simulations Journal of Physical Chemistry C. 150123143703008. DOI: 10.1021/Jp510328D |
0.418 |
|
| 2015 |
An Q, Goddard WA. Boron suboxide and boron subphosphide crystals: Hard ceramics that shear without brittle failure Chemistry of Materials. 27: 2855-2860. DOI: 10.1021/Cm5046918 |
0.481 |
|
| 2015 |
Tang B, An Q, Goddard WA. Improved Ductility of Boron Carbide by Microalloying with Boron Suboxide Journal of Physical Chemistry C. 119: 24649-24656. DOI: 10.1021/Acs.Jpcc.5B08086 |
0.461 |
|
| 2015 |
Li G, An Q, Li W, Goddard WA, Zhai P, Zhang Q, Snyder GJ. Brittle Failure Mechanism in Thermoelectric Skutterudite CoSb3 Chemistry of Materials. 27: 6329-6336. DOI: 10.1021/Acs.Chemmater.5B02268 |
0.458 |
|
| 2014 |
An Q, Goddard WA. Microalloying Boron Carbide with Silicon to Achieve Dramatically Improved Ductility. The Journal of Physical Chemistry Letters. 5: 4169-74. PMID 26278950 DOI: 10.1021/Jz5022697 |
0.425 |
|
| 2014 |
An Q, Xiao H, Goddard WA, Meng X. Stability of NNO and NPO Nanotube Crystals. The Journal of Physical Chemistry Letters. 5: 485-9. PMID 26276596 DOI: 10.1021/Jz402682Y |
0.598 |
|
| 2014 |
An Q, Cheng MJ, Goddard WA, Jaramillo-Botero A. CCl Radicals As a Carbon Source for Diamond Thin Film Deposition. The Journal of Physical Chemistry Letters. 5: 481-4. PMID 26276595 DOI: 10.1021/Jz402527Y |
0.41 |
|
| 2014 |
Merinov BV, Mueller JE, van Duin AC, An Q, Goddard WA. ReaxFF Reactive Force-Field Modeling of the Triple-Phase Boundary in a Solid Oxide Fuel Cell. The Journal of Physical Chemistry Letters. 5: 4039-43. PMID 26276491 DOI: 10.1021/Jz501891Y |
0.64 |
|
| 2014 |
An Q, Goddard WA, Cheng T. Atomistic explanation of shear-induced amorphous band formation in boron carbide. Physical Review Letters. 113: 095501. PMID 25215991 DOI: 10.1103/Physrevlett.113.095501 |
0.465 |
|
| 2014 |
Cai Y, Zhao FP, An Q, Wu HA, Goddard WA, Luo SN. Shock response of single crystal and nanocrystalline pentaerythritol tetranitrate: Implications to hotspot formation in energetic materials. The Journal of Chemical Physics. 139: 164704. PMID 24182061 DOI: 10.1063/1.4825400 |
0.477 |
|
| 2014 |
Ravelo R, Germann TC, Guerrero O, An Q, Holian BL. Erratum: Shock-induced plasticity in tantalum single crystals: Interatomic potentials and large-scale molecular-dynamics simulations [Phys. Rev. B88, 134101 (2013)] Physical Review B. 89. DOI: 10.1103/Physrevb.89.099902 |
0.322 |
|
| 2014 |
Wang L, Zhao F, Zhao FP, Cai Y, An Q, Luo SN. Grain boundary orientation effects on deformation of Ta bicrystal nanopillars under high strain-rate compression Journal of Applied Physics. 115: 53528. DOI: 10.1063/1.4864427 |
0.324 |
|
| 2014 |
An Q, Liu W, Goddard WA, Cheng T, Zybin SV, Xiao H. Initial Steps of Thermal Decomposition of Dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate Crystals from Quantum Mechanics The Journal of Physical Chemistry C. 118: 27175-27181. DOI: 10.1021/Jp509582X |
0.595 |
|
| 2014 |
Guo D, An Q, Goddard WA, Zybin SV, Huang F. Compressive Shear Reactive Molecular Dynamics Studies Indicating That Cocrystals of TNT/CL-20 Decrease Sensitivity The Journal of Physical Chemistry C. 118: 30202-30208. DOI: 10.1021/Jp5093527 |
0.476 |
|
| 2014 |
An Q, Goddard WA, Zybin SV, Luo S. Inhibition of Hotspot Formation in Polymer Bonded Explosives Using an Interface Matching Low Density Polymer Coating at the Polymer–Explosive Interface The Journal of Physical Chemistry C. 118: 19918-19928. DOI: 10.1021/Jp506501R |
0.431 |
|
| 2014 |
An Q, Goddard WA, Xiao H, Cheng T. Deformation Induced Solid–Solid Phase Transitions in Gamma Boron Chemistry of Materials. 26: 4289-4298. DOI: 10.1021/Cm5020114 |
0.562 |
|
| 2014 |
Pan H, Meng X, An Q, Wen X, Qin G, Goddard WA. The relation of mechanical properties and local structures in bulk Mg 54 (Cu 1− x Ag x ) 35 Y 11 metallic glasses: Ab initio molecular dynamics simulations Computational Materials Science. 92: 313-317. DOI: 10.1016/J.Commatsci.2014.05.066 |
0.469 |
|
| 2013 |
Chen DZ, Jang D, Guan KM, An Q, Goddard WA, Greer JR. Nanometallic glasses: size reduction brings ductility, surface state drives its extent. Nano Letters. 13: 4462-8. PMID 23978318 DOI: 10.1021/Nl402384R |
0.42 |
|
| 2013 |
Xiao H, An Q, Goddard WA, Liu WG, Zybin SV. Formation of the -N(NO)N(NO)- polymer at high pressure and stabilization at ambient conditions. Proceedings of the National Academy of Sciences of the United States of America. 110: 5321-5. PMID 23503849 DOI: 10.1073/Pnas.1222890110 |
0.553 |
|
| 2013 |
Ravelo R, Germann TC, Guerrero O, An Q, Holian BL. Shock-induced plasticity in tantalum single crystals: Interatomic potentials and large-scale molecular-dynamics simulations Physical Review B. 88. DOI: 10.1103/Physrevb.88.134101 |
0.355 |
|
| 2013 |
Zhao FP, An Q, Li B, Wu HA, Goddard WA, Luo SN. Shock response of a model structured nanofoam of Cu Journal of Applied Physics. 113: 063516. DOI: 10.1063/1.4791758 |
0.456 |
|
| 2013 |
An Q, Goddard WA, Zybin SV, Jaramillo-Botero A, Zhou T. Highly Shocked Polymer Bonded Explosives at a Nonplanar Interface: Hot-Spot Formation Leading to Detonation The Journal of Physical Chemistry C. 117: 26551-26561. DOI: 10.1021/Jp404753V |
0.426 |
|
| 2013 |
Jaramillo-Botero A, An Q, Theofanis PL, Goddard WA. Large-scale molecular simulations of hypervelocity impact of materials Procedia Engineering. 58: 167-176. DOI: 10.1016/J.Proeng.2013.05.020 |
0.764 |
|
| 2012 |
An Q, Samwer K, Goddard WA, Johnson WL, Jaramillo-Botero A, Garret G, Demetriou MD. Predicted Optimum Composition for the Glass-Forming Ability of Bulk Amorphous Alloys: Application to Cu-Zr-Al. The Journal of Physical Chemistry Letters. 3: 3143-8. PMID 26296020 DOI: 10.1021/Jz3014425 |
0.466 |
|
| 2012 |
Jaramillo-Botero A, An Q, Cheng MJ, Goddard WA, Beegle LW, Hodyss R. Hypervelocity impact effect of molecules from Enceladus' plume and Titan's upper atmosphere on NASA's Cassini spectrometer from reactive dynamics simulation. Physical Review Letters. 109: 213201. PMID 23215593 DOI: 10.1103/Physrevlett.109.213201 |
0.435 |
|
| 2012 |
Han WZ, An Q, Luo SN, Germann TC, Tonks DL, Goddard WA. Deformation and spallation of shocked Cu bicrystals withΣ3 coherent and symmetric incoherent twin boundaries Physical Review B. 85. DOI: 10.1103/Physrevb.85.024107 |
0.445 |
|
| 2012 |
An Q, Han WZ, Luo SN, Germann TC, Tonks DL, Goddard WA. Left-right loading dependence of shock response of (111)//(112) Cu bicrystals: Deformation and spallation Journal of Applied Physics. 111: 053525. DOI: 10.1063/1.3692079 |
0.408 |
|
| 2012 |
An Q, Luo SN, Goddard WA, Han WZ, Arman B, Johnson WL. Synthesis of single-component metallic glasses by thermal spray of nanodroplets on amorphous substrates Applied Physics Letters. 100. DOI: 10.1063/1.3675909 |
0.433 |
|
| 2012 |
Huang L, Han WZ, An Q, Goddard WA, Luo SN. Shock-induced consolidation and spallation of Cu nanopowders Journal of Applied Physics. 111: 013508. DOI: 10.1063/1.3675174 |
0.468 |
|
| 2012 |
An Q, Samwer K, Goddard WA, Johnson WL, Jaramillo-Botero A, Garret G, Demetriou MD. Predicted optimum composition for the glass-forming ability of bulk amorphous alloys: Application to Cu-Zr-Al Journal of Physical Chemistry Letters. 3: 3143-3148. DOI: 10.1021/jz3014425 |
0.317 |
|
| 2012 |
An Q, Liu Y, Zybin SV, Kim H, Goddard WA. Anisotropic Shock Sensitivity of Cyclotrimethylene Trinitramine (RDX) from Compress-and-Shear Reactive Dynamics The Journal of Physical Chemistry C. 116: 10198-10206. DOI: 10.1021/Jp300711M |
0.59 |
|
| 2011 |
An Q, Garrett G, Samwer K, Liu Y, Zybin SV, Luo SN, Demetriou MD, Johnson WL, Goddard WA. Atomistic Characterization of Stochastic Cavitation of a Binary Metallic Liquid under Negative Pressure. The Journal of Physical Chemistry Letters. 2: 1320-3. PMID 26295428 DOI: 10.1021/Jz200351M |
0.441 |
|
| 2011 |
An Q, Zybin SV, Goddard WA, Jaramillo-Botero A, Blanco M, Luo S. Elucidation of the dynamics for hot-spot initiation at nonuniform interfaces of highly shocked materials Physical Review B. 84. DOI: 10.1103/Physrevb.84.220101 |
0.486 |
|
| 2011 |
Arman B, An Q, Luo SN, Desai TG, Tonks DL, Çaǧin T, Goddard WA. Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading Journal of Applied Physics. 109. DOI: 10.1063/1.3524559 |
0.438 |
|
| 2011 |
Zhang G, An Q, Goddard WA. Composition dependence of glass forming propensity in Al-Ni alloys Journal of Physical Chemistry C. 115: 2320-2331. DOI: 10.1021/Jp107382U |
0.478 |
|
| 2010 |
Luo S, Germann TC, Tonks DL, An Q. Shock wave loading and spallation of copper bicrystals with asymmetric Σ3⟨110⟩ tilt grain boundaries Journal of Applied Physics. 108: 093526. DOI: 10.1063/1.3506707 |
0.319 |
|
| 2010 |
Luo SN, Germann TC, Desai TG, Tonks DL, An Q. Anisotropic shock response of columnar nanocrystalline Cu Journal of Applied Physics. 107. DOI: 10.1063/1.3437654 |
0.319 |
|
| 2010 |
Han L, An Q, Fu R, Zheng L, Luo S. Local and bulk melting of Cu at grain boundaries Physica B: Condensed Matter. 405: 748-753. DOI: 10.1016/J.Physb.2009.09.099 |
0.314 |
|
| 2010 |
Han L, An Q, Luo S, Goddard W. Ultra-elastic and inelastic impact of Cu nanoparticles Materials Letters. 64: 2230-2232. DOI: 10.1016/J.Matlet.2010.07.015 |
0.309 |
|
| 2009 |
Han LB, An Q, Fu RS, Zheng L, Luo SN. Melting of defective Cu with stacking faults. The Journal of Chemical Physics. 130: 024508. PMID 19154039 DOI: 10.1063/1.3049799 |
0.301 |
|
| 2009 |
Luo S, An Q, Germann TC, Han L. Shock-induced spall in solid and liquid Cu at extreme strain rates Journal of Applied Physics. 106: 013502. DOI: 10.1063/1.3158062 |
0.315 |
|
| 2008 |
An Q, Luo S, Han L, Zheng L, Tschauner O. Melting of Cu under hydrostatic and shock wave loading to high pressures Journal of Physics: Condensed Matter. 20: 095220. DOI: 10.1088/0953-8984/20/9/095220 |
0.338 |
|
| 2008 |
Luo S, Han L, Xie Y, An Q, Zheng L, Xia K. The relation between shock-state particle velocity and free surface velocity: A molecular dynamics study on single crystal Cu and silica glass Journal of Applied Physics. 103: 093530. DOI: 10.1063/1.2919571 |
0.311 |
|
| 2007 |
Zheng L, An Q, Xie Y, Sun Z, Luo SN. Homogeneous nucleation and growth of melt in copper. The Journal of Chemical Physics. 127: 164503. PMID 17979356 DOI: 10.1063/1.2790424 |
0.314 |
|
| 2006 |
Zheng L, An Q, Fu R, Ni S, Luo SN. Densification of silica glass at ambient pressure. The Journal of Chemical Physics. 125: 154511. PMID 17059276 DOI: 10.1063/1.2358130 |
0.333 |
|
| 2006 |
An Q, Zheng L, Fu R, Ni S, Luo SN. Solid-liquid transitions of sodium chloride at high pressures. The Journal of Chemical Physics. 125: 154510. PMID 17059275 DOI: 10.1063/1.2357737 |
0.306 |
|
| 2006 |
LUO S, ZHENG L, AN Q, ZHAO S. TENSILE FAILURE OF SINGLE-CRYSTAL AND NANOCRYSTALLINE LENNARD-JONES SOLIDS UNDER UNIAXIAL STRAIN International Journal of Modern Physics C. 17: 1551-1561. DOI: 10.1142/S0129183106010017 |
0.315 |
|
| 2006 |
An Q, Zheng L, Luo S. Vacancy-induced densification of silica glass Journal of Non-Crystalline Solids. 352: 3320-3325. DOI: 10.1016/J.Jnoncrysol.2006.04.024 |
0.323 |
|
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