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