An, Qi

Article from CaltechAUTHORS

• Shen, Yidi and Morozov, Sergey I., et el. (2023) Deciphering the Atomistic Mechanism of Si(111)-7 × 7 Surface Reconstruction Using a Machine-Learning Force Field; Journal of the American Chemical Society; Vol. 145; No. 37; 20511-20520; 10.1021/jacs.3c06540
• Shen, Yidi and Morozov, Sergey I., et el. (2023) Growth Mechanism and Kinetics of Diamond in Liquid Gallium from Quantum Mechanics Molecular Dynamics Simulations; ACS Applied Materials & Interfaces; Vol. 15; No. 27; 33046-33055; 10.1021/acsami.3c03314
• Cheng, Yujie and Dong, Jinlei, et el. (2023) Scaling Law for Impact Resistance of Amorphous Alloys Connecting Atomistic Molecular Dynamics with Macroscale Experiments; ACS Applied Materials & Interfaces; Vol. 15; No. 10; 13449-13459; 10.1021/acsami.2c19719
• Li, Yuyin and Wong, Hoilun, et el. (2022) Deposition of Horizontally Stacked Zn Crystals on Single Layer 1T-VSe₂ for Dendrite-Free Zn Metal Anodes; Advanced Energy Materials; Vol. 12; No. 47; 2202983; 10.1002/aenm.202202983
• Huang, Min and Zhai, Pengcheng, et el. (2022) Nanotwin-induced ductile mechanism in thermoelectric semiconductor PbTe; Matter; Vol. 5; No. 6; 1839-1852; 10.1016/j.matt.2022.03.010
• Hwang, Chawon and Du, Jun, et el. (2022) Addressing amorphization and transgranular fracture of B₄C through Si doping and TiB₂ microparticle reinforcing; Journal of the American Ceramic Society; Vol. 105; No. 5; 2959-2977; 10.1111/jace.18223
• Shen, Yidi and Yang, Moon Young, et el. (2022) Strengthening boron carbide by doping Si into grain boundaries; Journal of the American Ceramic Society; Vol. 105; No. 5; 2978-2989; 10.1111/jace.18028
• Ramesh, K. T. and Graham-Brady, Lori, et el. (2022) Models for the behavior of boron carbide in extreme dynamic environments; Journal of the American Ceramic Society; Vol. 105; No. 5; 3043-3061; 10.1111/jace.18071
• Shen, Yidi and Johnson, William L., et el. (2022) Shear Banding in Binary Cu-Zr Metallic Glass: Comparison of the G-Phase With L-Phase; Frontiers in Materials; Vol. 9; Art. No. 886788; 10.3389/fmats.2022.886788
• Fuller, Jon and An, Qi, et el. (2022) Reaction Mechanisms, Kinetics, and Improved Catalysts for Ammonia Synthesis from Hierarchical High Throughput Catalyst Design; Accounts of Chemical Research; Vol. 55; No. 8; 1124-1134; 10.1021/acs.accounts.1c00789
• An, Qi and Johnson, William L., et el. (2022) The L–G phase transition in binary Cu–Zr metallic liquids; Physical Chemistry Chemical Physics; Vol. 24; No. 1; 497-506; 10.1039/d1cp04157f
• Fuller, Jon and Fortunelli, Alessandro, et el. (2021) Vibrational Spectroscopy Signatures of Catalytically Relevant Configurations for N₂ Reduction to NH₃ on Fe Surfaces via Density Functional Theory; Journal of Physical Chemistry C; Vol. 125; No. 51; 27919-27930; 10.1021/acs.jpcc.1c08829
• Lu, Zhongtao and Huang, Ben, et el. (2021) Shear induced deformation twinning evolution in thermoelectric InSb; npj Computational Materials; Vol. 7; Art. No. 111; 10.1038/s41524-021-00581-x
• Lindley, Sarah A. and An, Qi, et el. (2021) Spatiotemporal Temperature and Pressure in Thermoplasmonic Gold Nanosphere-Water Systems; ACS Nano; Vol. 15; No. 4; 6276-6288; 10.1021/acsnano.0c09804
• Li, Guodong and An, Qi, et el. (2021) Fracture toughness of thermoelectric materials; Materials Science and Engineering R: Reports; Vol. 144; Art. No. 100607; 10.1016/j.mser.2021.100607
• An, Qi and Johnson, William L., et el. (2021) The first order L-G phase transition in liquid Ag and Ag-Cu alloys is driven by deviatoric strain; Scripta Materialia; Vol. 194; Art. No. 113695; 10.1016/j.scriptamat.2020.113695
• An, Qi and Mcdonald, Molly, et el. (2021) Controlling the Shapes of Nanoparticles by Dopant-Induced Enhancement of Chemisorption and Catalytic Activity: Application to Fe-Based Ammonia Synthesis; ACS Nano; Vol. 15; No. 1; 1675-1684; 10.1021/acsnano.0c09346
• Fuller, Jon and Fortunelli, Alessandro, et el. (2020) Discovery of Dramatically Improved Ammonia Synthesis Catalysts through Hierarchical High-Throughput Catalyst Screening of the Fe(211) Surface; Chemistry of Materials; Vol. 32; No. 23; 9914-9924; 10.1021/acs.chemmater.0c02701
• Gaffney, Anne M. and An, Qi, et el. (2020) Toward Concurrent Engineering of the M1-Based Catalytic Systems for Oxidative Dehydrogenation (ODH) of Alkanes; Topics in Catalysis; Vol. 63; No. 19-20; 1667-1681; 10.1007/s11244-020-01327-7
• An, Qi and Johnson, William L., et el. (2020) Formation of Two Glass Phases in Binary Cu-Ag Liquid; Acta Materialia; Vol. 195; 274-281; 10.1016/j.actamat.2020.05.060
• Guo, Dezhou and Zybin, Sergey V., et el. (2020) Enhancing the Detonation Properties of Liquid Nitromethane by Adding Nitro-Rich Molecule Nitryl Cyanide; Journal of Physical Chemistry C; Vol. 124; No. 18; 9787-9794; 10.1021/acs.jpcc.0c02010
• An, Qi and Mcdonald, Molly, et el. (2020) Si-doped Fe Catalyst for Ammonia Synthesis at Dramatically Decreased Pressures and Temperatures; Journal of the American Chemical Society; Vol. 142; No. 18; 8223-8232; 10.1021/jacs.9b13996
• Huang, Min and Li, Guodong, et el. (2020) Structural failure of layered thermoelectric In₄Se_(3-δ) semiconductors is dominated by shear slippage; Acta Materialia; Vol. 187; 84-90; 10.1016/j.actamat.2020.01.045
• Li, Guodong and An, Qi, et el. (2020) Intrinsic mechanical behavior of MgAgSb thermoelectric material: An ab initio study; Journal of Materiomics; Vol. 6; No. 1; 24-32; 10.1016/j.jmat.2019.11.002
• An, Qi and Johnson, William L., et el. (2020) First Order Phase Transition in Liquid Ag to the Heterogeneous G-Phase; Journal of Physical Chemistry Letters; Vol. 11; No. 3; 632-645; 10.1021/acs.jpclett.9b03699
• Cheng, Tao and Jaramillo-Botero, Andres, et el. (2019) 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; Vol. 116; No. 37; 18193-18201; PMCID PMC6744898; 10.1073/pnas.1800035115
• Tang, Bin and He, Yi, et el. (2019) First principles predicting enhanced ductility of boride carbide through magnesium microalloying; Journal of the American Ceramic Society; Vol. 102; No. 9; 5514-5523; 10.1111/jace.16383
• Mcdonald, Molly and Fuller, Jon, et el. (2019) Highly Efficient Ni-Doped Iron Catalyst for Ammonia Synthesis from QM-Based Hierarchical High Throughput Catalyst Screening; Journal of Physical Chemistry C; Vol. 123; No. 28; 17375-17383; 10.1021/acs.jpcc.9b04386
• Fuller, Jon and Fortunelli, Alessandro, et el. (2019) Reaction mechanism and kinetics for ammonia synthesis on the Fe(211) reconstructed surface; Physical Chemistry Chemical Physics; Vol. 21; No. 21; 11444-11454; 10.1039/c9cp01611b
• Li, Guodong and He, Jiangang, et el. (2019) Dramatically reduced lattice thermal conductivity of Mg_2Si thermoelectric material from nanotwinning; Acta Materialia; Vol. 169; 9-14; 10.1016/j.actamat.2019.02.041
• Gao, Yang and Ma, Yanzhang, et el. (2019) Shear driven formation of nano-diamonds at sub-gigapascals and 300 K; Carbon; Vol. 146; 364-368; 10.1016/j.carbon.2019.02.012
• Wang, Hongwei and Morozov, Sergey I., et el. (2019) Light irradiation induced brittle-to-ductile and ductile-to-brittle transition in inorganic semiconductors; Physical Review B; Vol. 99; No. 16; Art. No. 161202; 10.1103/physrevb.99.161202
• Ye, Cai-Chao and An, Qi, et el. (2019) Initial Decomposition of HMX Energetic Material from Quantum Molecular Dynamics and the Molecular Structure Transition of β- to δ-HMX; Journal of Physical Chemistry C; Vol. 123; No. 14; 9231-9236; 10.1021/acs.jpcc.9b01169
• An, Qi and Shen, Yidi, et el. (2018) QM-Mechanism-Based Hierarchical High-Throughput in silico Screening Catalyst Design for Ammonia Synthesis; Journal of the American Chemical Society; Vol. 140; No. 50; 17702-17710; 10.1021/jacs.8b10499
• Li, Guodong and An, Qi, et el. (2018) Mechanical softening of thermoelectric semiconductor Mg_2Si from nanotwinning; Scripta Materialia; Vol. 157; 90-94; 10.1016/j.scriptamat.2018.08.002
• Guo, Dezhou and Song, Shuangxi, et el. (2018) Grain Boundary Sliding and Amorphization are Responsible for the Reverse Hall-Petch Relation in Superhard Nanocrystalline Boron Carbide; Physical Review Letters; Vol. 121; No. 14; Art. No. 145504; 10.1103/PhysRevLett.121.145504
• Khan, Atta U. and Etzold, Anthony M., et el. (2018) Locating Si atoms in Si-Doped Boron Carbide: a Route to Understand Amorphization Mitigation Mechanism; Acta Materialia; Vol. 157; 106-113; 10.1016/j.actamat.2018.07.021
• Li, Guodong and An, Qi, et el. (2018) Ductile deformation mechanism in semiconductor α-Ag_(2)S; npj Computational Materials; Vol. 4; No. 1; Art. No. 44; 10.1038/s41524-018-0100-0
• Li, Guodong and An, Qi, et el. (2018) Determining ideal strength and failure mechanism of thermoelectric CuInTe_2 through quantum mechanics; Journal of Materials Chemistry A; Vol. 6; No. 25; 11743-11750; 10.1039/C8TA03837F
• Qian, Jin and An, Qi, et el. (2018) Reaction mechanism and kinetics for ammonia synthesis on the Fe(111) Surface; Journal of the American Chemical Society; Vol. 140; No. 20; 6288-6297; 10.1021/jacs.7b13409
• Yang, Xiaokun and Goddard, William A., III, et el. (2018) Asymmetric twins in boron rich boron carbide; Physical Chemistry Chemical Physics; Vol. 20; No. 19; 13340-13347; 10.1039/c8cp01429a
• Li, Guodong and Aydemir, Umut, et el. (2018) Mechanical properties in thermoelectric oxides: Ideal strength, deformation mechanism, and fracture toughness; Acta Materialia; Vol. 149; 341-349; 10.1016/j.actamat.2018.02.063
• Yang, Xiaokun and Coleman, Shawn P., et el. (2018) Shear-Induced Brittle Failure along Grain Boundaries in Boron Carbide; ACS Applied Materials & Interfaces; Vol. 10; No. 5; 5072-5080; 10.1021/acsami.7b16782
• Yang, Xiaokun and Goddard, William A., III, et el. (2018) The Structure and Properties of Boron-Very-Rich Boron Carbides: B_(12) Icosahedra Linked through Bent CBB Chains; Journal of Physical Chemistry C; Vol. 122; No. 4; 2448-2453; 10.1021/acs.jpcc.7b11767
• Chen, Hetuo and Fu, Xuewen, et el. (2017) Determining the Quality Factor of Dielectric Ceramic Mixtures with Dielectric Constants in the Microwave Frequency Range; Scientific Reports; Vol. 7; Art. No. 14120; PMCID PMC5658387; 10.1038/s41598-017-14333-9
• Li, Guodong and Aydemir, Umut, et el. (2017) Superstrengthening Bi_2Te_3 through Nanotwinning; Physical Review Letters; Vol. 119; No. 8; Art. No. 085501; 10.1103/PhysRevLett.119.085501
• An, Qi and Goddard, William A., III (2017) Ductility in Crystalline Boron Subphosphide (B_(12)P_2) for Large Strain Indentation; Journal of Physical Chemistry C; Vol. 121; No. 30; 16644-16649; 10.1021/acs.jpcc.7b05429
• An, Qi and Goddard, William A., III (2017) Improved Ductility of B_(12) Icosahedra-Based Superhard Materials Through Icosahedral Slip; Journal of Physical Chemistry C; Vol. 121; No. 21; 11831-11838; 10.1021/acs.jpcc.7b01761
• Li, Guodong and Aydemir, Umut, et el. (2017) Deformation mechanisms in high-efficiency thermoelectric layered Zintl compounds; Journal of Materials Chemistry A; No. 19; 9050-9059; 10.1039/c7ta02080e
• Ye, Cai-Chao and An, Qi, et el. (2017) Adsorption and decomposition of HMX and CL-20 on Al(111) surface by DFT investigation; Surface and Interface Analysis; Vol. 49; No. 5; 441-449; 10.1002/sia.6177
• An, Qi and Goddard, William A., III (2017) Nanotwins soften boron-rich boron carbide (B_(13)C_2); Applied Physics Letters; Vol. 110; No. 11; Art. No. 111902; 10.1063/1.4978644
• An, Qi and Reddy, K. Madhav, et el. (2017) An et al. Reply; Physical Review Letters; Vol. 118; No. 8; Art. No. 089602; 10.1103/PhysRevLett.118.089602
• Cheng, Tao and Goddard, William A., III, et el. (2017) Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells; Physical Chemistry Chemical Physics; Vol. 19; No. 4; 2666-2673; 10.1039/c6cp08055c
• Sun, Songmei and An, Qi, et el. (2017) Efficient photocatalytic reduction of dinitrogen to ammonia on bismuth monoxide quantum dots; Journal of Materials Chemistry A; Vol. 5; No. 1; 201-209; 10.1039/C6TA09275F
• Chen, David Z. and An, Qi, et el. (2017) Ordering and dimensional crossovers in metallic glasses and liquids; Physical Review B; Vol. 95; No. 2; Art. No. 024103; 10.1103/PhysRevB.95.024103
• An, Qi and Goddard, William A., III, et el. (2016) Superstrength through Nanotwinning; Nano Letters; Vol. 16; No. 12; 7573-7579; 10.1021/acs.nanolett.6b03414
• Xie, Kelvin Y. and An, Qi, et el. (2016) Breaking the icosahedra in boron carbide; Proceedings of the National Academy of Sciences of the United States of America; Vol. 113; No. 43; 12012-12016; PMCID PMC5087016; 10.1073/pnas.1607980113
• Li, Guodong and An, Qi, et el. (2016) Enhanced ideal strength of thermoelectric half-Heusler TiNiSn by sub-structure engineering; Journal of Materials Chemistry A; Vol. 4; No. 38; 14625-14636; 10.1039/c6ta04123j
• An, Qi and Qian, Jin, et el. (2016) The quantum mechanics derived atomistic mechanism underlying the acceleration of catalytic CO oxidation on Pt(110) by surface acoustic waves; Journal of Materials Chemistry A; Vol. 2016; No. 31; 12036-12045; 10.1039/C6TA03669D
• An, Qi and Reddy, K. Madhav, et el. (2016) New Ground-State Crystal Structure of Elemental Boron; Physical Review Letters; Vol. 117; No. 8; Art. No. 085501; 10.1103/PhysRevLett.117.085501
• An, Qi and Reddy, K. Madhav, et el. (2016) Nanotwinned Boron Suboxide (B_6O): New Ground State of B_6O; Nano Letters; Vol. 16; No. 7; 4236-4242; 10.1021/acs.nanolett.6b01204
• An, Qi and Samwer, Konrad, et el. (2016) 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; Vol. 113; No. 26; 7053-7058; PMCID PMC4932989; 10.1073/pnas.1607506113
• Mendoza-Cortés, José L. and An, Qi, et el. (2016) Prediction of the Crystal Packing of Di-Tetrazine-Tetroxide (DTTO) Energetic Material; Journal of Computational Chemistry; Vol. 37; No. 2; 163-167; 10.1002/jcc.23893
• An, Qi and Reddy, K. Madhav, et el. (2016) Nucleation of amorphous shear bands at nanotwins in boron suboxide; Nature Communications; Vol. 7; No. 3; Art. No. 11001; PMCID PMC4804168; 10.1038/ncomms11001
• Meng, Xiangying and Wang, Lu, et el. (2016) Discovery of Fe_2 =P-Type Ti(Zr/Hf)_2O_6 Photocatalysts toward Water Splitting; Chemistry of Materials; Vol. 28; No. 5; 1335-1342; 10.1021/acs.chemmater.5b04256
• Guo, Dezhou and Zybin, Sergey V., et el. (2016) Prediction of the Chapman–Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics; Physical Chemistry Chemical Physics; Vol. 18; No. 3; 2015-2022; 10.1039/C5CP04516A
• Li, Guodong and An, Qi, et el. (2016) Atomistic explanation of brittle failure of thermoelectric skutterudite CoSb_3; Acta Materialia; Vol. 103; 775-780; 10.1016/j.actamat.2015.11.021
• Tang, Bin and An, Qi, et el. (2015) Improved Ductility of Boron Carbide by Microalloying with Boron Suboxide; Journal of Physical Chemistry C; Vol. 119; No. 43; 24649-24656; 10.1021/acs.jpcc.5b08086
• Xie, Kelvin Y. and An, Qi, et el. (2015) Atomic-Level Understanding of "Asymmetric Twins" in Boron Carbide; Physical Review Letters; Vol. 115; No. 17; Art. No. 175501; 10.1103/PhysRevLett.115.175501
• Li, Guodong and An, Qi, et el. (2015) Brittle Failure Mechanism in Thermoelectric Skutterudite CoSb_3; Chemistry of Materials; Vol. 27; No. 18; 6329-6336; 10.1021/acs.chemmater.5b02268
• Chen, David Z. and Shi, Crystal Y., et el. (2015) Fractal atomic-level percolation in metallic glasses; Science; Vol. 349; No. 6254; 1306-1310; 10.1126/science.aab1233
• An, Qi and Goddard, William A., III (2015) Atomistic Origin of Brittle Failure of Boron Carbide from Large-Scale Reactive Dynamics Simulations: Suggestions toward Improved Ductility; Physical Review Letters; Vol. 115; No. 10; Art. No. 105501; 10.1103/PhysRevLett.115.105501
• Ye, Cai-Chao and An, Qi, et el. (2015) 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; Vol. 3; No. 22; 12044-12050; 10.1039/C5TA02486B
• An, Qi and Goddard, William A., III (2015) Boron Suboxide and Boron Subphosphide Crystals: Hard Ceramics That Shear without Brittle Failure; Chemistry of Materials; Vol. 27; No. 8; 2855-2860; 10.1021/cm5046918
• Guo, Dezhou and An, Qi, et el. (2015) The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics; Journal of Materials Chemistry A; Vol. 3; No. 10; 5409-5419; 10.1039/c4ta06858k
• An, Qi and Jaramillo-Botero, Andres, et el. (2015) Reaction Pathways of GaN (0001) Growth from Trimethylgallium and Ammonia versus Triethylgallium and Hydrazine Using First Principle Calculations; Journal of Physical Chemistry C; Vol. 119; No. 8; 4095-4103; 10.1021/jp5116405
• Chen, D. Z. and Gu, X. W., et el. (2015) Ductility and work hardening in nano-sized metallic glasses; Applied Physics Letters; Vol. 106; No. 6; Art. No. 061903; 10.1063/1.4907773
• Ye, Cai-Chao and An, Qi, et el. (2015) Initial decomposition reaction of di-tetrazine-tetroxide (DTTO) from quantum molecular dynamics: implications for a promising energetic material; Journal of Materials Chemistry A; Vol. 3; No. 5; 1972-1978; 10.1039/C4TA05676K
• Ye, Cai-Chao and An, Qi, et el. (2015) 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; Vol. 119; No. 5; 2290-2296; 10.1021/jp510328d
• An, Qi and Cheng, Tao, et el. (2015) Anisotropic Impact Sensitivity and Shock Induced Plasticity of TKX-50 (Dihydroxylammonium 5,5′-bis(tetrazole)-,1′-diolate) Single Crystals: From Large-Scale Molecular Dynamics Simulations; Journal of Physical Chemistry C; Vol. 119; No. 4; 2196-2207; 10.1021/jp510951s
• Guo, Dezhou and An, Qi, et el. (2014) Compressive Shear Reactive Molecular Dynamics Studies Indicating That Cocrystals of TNT/CL-20 Decrease Sensitivity; Journal of Physical Chemistry C; Vol. 118; No. 51; 30202-30208; 10.1021/jp5093527
• An, Qi and Goddard, William A., III (2014) Microalloying Boron Carbide with Silicon to Achieve Dramatically Improved Ductility; Journal of Physical Chemistry Letters; Vol. 5; No. 23; 4169-4174; 10.1021/jz5022697
• Merinov, Boris V. and Mueller, Jonathan E., et el. (2014) ReaxFF Reactive Force-Field Modeling of the Triple-Phase Boundary in a Solid Oxide Fuel Cell; Journal of Physical Chemistry Letters; Vol. 5; No. 22; 4039-4043
• An, Qi and Liu, Wei-Guang, et el. (2014) Initial Steps of Thermal Decomposition of Dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate Crystals from Quantum Mechanics; Journal of Physical Chemistry C; Vol. 118; No. 46; 27175-27181; 10.1021/jp509582x
• Sun, Songmei and Wang, Wenzhong, et el. (2014) Bi_2WO_6 quantum dot-intercalated ultrathin montmorillonite nanostructure and its enhanced photocatalytic performance; Nano Research; Vol. 7; No. 10; 1497-1506; 10.1007/s12274-014-0511-2
• Pan, Haijun and Meng, Xiangying, et el. (2014) 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; Vol. 92; 313-317; 10.1016/j.commatsci.2014.05.066
• An, Qi and Goddard, William A., III, et el. (2014) Atomistic Explanation of Shear-Induced Amorphous Band Formation in Boron Carbide; Physical Review Letters; Vol. 113; No. 9; Art. No. 095501; 10.1103/PhysRevLett.113.095501
• An, Qi and Goddard, William A., III, et el. (2014) Inhibition of Hotspot Formation in Polymer Bonded Explosives Using an Interface Matching Low Density Polymer Coating at the Polymer–Explosive Interface; Journal of Physical Chemistry C; Vol. 118; No. 34; 19918-19928; 10.1021/jp506501r
• An, Qi and Goddard, William A., III, et el. (2014) Deformation Induced Solid−Solid Phase Transitions in Gamma Boron; Chemistry of Materials; Vol. 26; No. 14; 4289-4298; 10.1021/cm5020114
• Wang, L. and Zhao, F., et el. (2014) Grain boundary orientation effects on deformation of Ta bicrystal nanopillars under high strain-rate compression; Journal of Applied Physics; Vol. 115; No. 5; Art. No. 053528; 10.1063/1.4864427
• An, Qi and Cheng, Mu-Jeng, et el. (2014) CCI Radicals As a Carbon Source for Diamond Thin Film Deposition; Journal of Physical Chemistry Letters; Vol. 2014; No. 5; 481-484; 10.1021/jz402527y
• An, Qi and Xiao, Hai, et el. (2014) Stability of NNO and NPO Nanotube Crystals; Journal of Physical Chemistry Letters; Vol. 2014; No. 5; 485-489; 10.1021/jz402682y
• An, Qi and Goddard, William A., III, et el. (2013) Highly Shocked Polymer Bonded Explosives at a Nonplanar Interface: Hot-Spot Formation Leading to Detonation; Journal of Physical Chemistry C; Vol. 117; No. 50; 26551-26561; 10.1021/jp404753v
• Cai, Y. and Zhao, F. P., et el. (2013) Shock response of single crystal and nanocrystalline pentaerythritol tetranitrate: Implications to hotspot formation in energetic materials; Journal of Chemical Physics; Vol. 139; No. 16; Art. No. 164704; 10.1063/1.4825400
• Ravelo, R. and Germann, T. C., et el. (2013) Shock-induced plasticity in tantalum single crystals: Interatomic potentials and large-scale molecular-dynamics simulations; Physical Review B; Vol. 88; No. 13; Art. No. 134101; 10.1103/PhysRevB.88.134101
• Chen, D. Z. and Jang, D., et el. (2013) Nanometallic Glasses: Size Reduction Brings Ductility, Surface State Drives Its Extent; Nano Letters; Vol. 13; No. 9; 4462-4468; 10.1021/nl402384r
• Xiao, Hai and An, Qi, et el. (2013) 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; Vol. 110; No. 14; 5321-5325; PMCID PMC3619361; 10.1073/pnas.1222890110
• Zhao, F. P. and An, Q., et el. (2013) Shock response of a model structured nanofoam of Cu; Journal of Applied Physics; Vol. 113; No. 6; Art. No. 063516; 10.1063/1.4791758
• Jaramillo-Botero, Andres and An, Qi, et el. (2013) Large-scale Molecular Simulations of Hypervelocity Impact of Materials; Procedia Engineering; Vol. 58; 167-176; 10.1016/j.proeng.2013.05.020
• Jaramillo-Botero, Andres and An, Qi, et el. (2012) 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; Vol. 109; No. 21; Art. No. 213201; 10.1103/PhysRevLett.109.213201
• An, Qi and Samwer, Konrad, et el. (2012) Predicted Optimum Composition for the Glass-Forming Ability of Bulk Amorphous Alloys: Application to Cu−Zr−Al; Journal of Physical Chemistry Letters; Vol. 3; No. 21; 3143-3148; 10.1021/jz3014425
• An, Qi and Zybin, Sergey V., et el. (2012) Anisotropic Shock Sensitivity of Cyclotrimethylene Trinitramine (RDX) from Compress-and-Shear Reactive Dynamics; Journal of Physical Chemistry C; Vol. 116; No. 18; 10198-10206; 10.1021/jp300711m
• An, Q. and Han, W. Z., et el. (2012) Left-right loading dependence of shock response of (111)//(112) Cu bicrystals: Deformation and spallation; Journal of Applied Physics; Vol. 111; No. 5; Art. No. 053525; 10.1063/1.3692079
• An, Qi and Luo, Sheng-Nian, et el. (2012) Synthesis of single-component metallic glasses by thermal spray of nanodroplets on amorphous substrates; Applied Physics Letters; Vol. 100; No. 4; Art. No. 041909; 10.1063/1.3675909
• Han, W. Z. and An, Q., et el. (2012) Deformation and spallation of shocked Cu bicrystals with Σ3 coherent and symmetric incoherent twin boundaries; Physical Review B; Vol. 85; No. 2; Art. No. 024107; 10.1103/PhysRevB.85.024107
• Huang, L. and Han, W. Z., et el. (2012) Shock-induced consolidation and spallation of Cu nanopowders; Journal of Applied Physics; Vol. 111; No. 1; Art. No. 013508; 10.1063/1.3675174
• An, Qi and Zybin, Sergey V., et el. (2011) Elucidation of the dynamics for hot-spot initiation at nonuniform interfaces of highly shocked materials; Physical Review B; Vol. 84; No. 22; Art. No. 220101; 10.1103/PhysRevB.84.220101
• An, Qi and Garrett, Glenn, et el. (2011) Atomistic Characterization of Stochastic Cavitation of a Binary Metallic Liquid under Negative Pressure; Journal of Physical Chemistry Letters; Vol. 2; No. 11; 1320-1323; 10.1021/jz200351m
• Zhang, Guoyun and An, Qi, et el. (2011) Composition Dependence of Glass Forming Propensity in Al−Ni Alloys; Journal of Physical Chemistry C; Vol. 115; No. 5; 2320-2331; 10.1021/jp107382u
• Jaramillo-Botero, Andres and Su, Julius, et el. (2011) Large-Scale, Long-Term Nonadiabatic Electron Molecular Dynamics for Describing Material Properties and Phenomena in Extreme Environments; Journal of Computational Chemistry; Vol. 32; No. 3; 497-512; 10.1002/jcc.21637
• Arman, B. and An, Q., et el. (2011) Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading; Journal of Applied Physics; Vol. 109; No. 1; Art. No. 013503; 10.1063/1.3524559
• Luo, Sheng-Nian and Germann, Timothy C., et el. (2010) Shock wave loading and spallation of copper bicrystals with asymmetric Σ3〈110〉tilt grain boundaries; Journal of Applied Physics; Vol. 108; No. 9; Art. No. 093526; 10.1063/1.3506707
• Han, L. B. and An, Q., et el. (2010) Ultra-elastic and inelastic impact of Cu nanoparticles; Materials Letters; Vol. 64; No. 20; 2230-2232; 10.1016/j.matlet.2010.07.015
• Luo, Sheng-Nian and Germann, Timothy C., et el. (2010) Anisotropic shock response of columnar nanocrystalline Cu; Journal of Applied Physics; Vol. 107; No. 12; Art. No. 123507; 10.1063/1.3437654