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    Asta, Mark

    TitleMaterials Faculty Sci/Engr
    SchoolLawrence Berkeley National Lab
    DepartmentMaterials Sciences
    Address1 Cyclotron Road
    Berkeley CA 94720
    Phone510/642-3803
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      Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help.
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      1. Asmara TC, Wan D, Zhao Y, Majidi MA, Nelson CT, Scott MC, Cai Y, Yan B, Schmidt D, Yang M, Zhu T, Trevisanutto PE, Motapothula MR, Feng YP, Breese MBH, Sherburne M, Asta M, Minor A, Venkatesan T, Rusydi A. Tunable and low-loss correlated plasmons in Mott-like insulating oxides. Nat Commun. 2017 May 12; 8:15271. PMID: 28497786.
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      2. Solomon JM, Shamblin J, Lang M, Navrotsky A, Asta M. Corrigendum: Chemical ordering in substituted fluorite oxides: a computational investigation of Ho2Zr2O7 and RE2Th2O7 (RE?=?Ho, Y, Gd, Nd, La). Sci Rep. 2017 Feb 13; 7:42380. PMID: 28198809.
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      3. Solomon JM, Shamblin J, Lang M, Navrotsky A, Asta M. Chemical ordering in substituted fluorite oxides: a computational investigation of Ho2Zr2O7 and RE2Th2O7 (RE=Ho, Y, Gd, Nd, La). Sci Rep. 2016 Dec 12; 6:38772. PMID: 27941870.
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      4. Ding J, Cheng YQ, Sheng H, Asta M, Ritchie RO, Ma E. Universal structural parameter to quantitatively predict metallic glass properties. Nat Commun. 2016 Dec 12; 7:13733. PMID: 27941922.
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      5. Ghosh S, Saha S, Liu Z, Motapothula M, Patra A, Yakovlev N, Cai Y, Prakash S, Huang XH, Tay CB, Cong CX, Bhatt T, Dolmanan SB, Chen J, Lü W, Huang Z, Tripathy S, Chua SJ, Yu T, Asta M, Ariando A, Venkatesan T. Origin and Quenching of Novel ultraviolet and blue emission in NdGaO3: Concept of Super-Hydrogenic Dopants. Sci Rep. 2016 Nov 03; 6:36352. PMID: 27808272.
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      6. de Jong M, Chen W, Notestine R, Persson K, Ceder G, Jain A, Asta M, Gamst A. A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds. Sci Rep. 2016 Oct 03; 6:34256. PMID: 27694824.
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      7. Wang Z, Olmsted DL, Asta M, Laird BB. Electric potential calculation in molecular simulation of electric double layer capacitors. J Phys Condens Matter. 2016 Nov 23; 28(46):464006. PMID: 27624573.
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      8. Xing G, Kumar MH, Chong WK, Liu X, Cai Y, Ding H, Asta M, Grätzel M, Mhaisalkar S, Mathews N, Sum TC. Solution-Processed Tin-Based Perovskite for Near-Infrared Lasing. Adv Mater. 2016 Oct; 28(37):8191-8196. PMID: 27417520.
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      9. Guo X, Tiferet E, Qi L, Solomon JM, Lanzirotti A, Newville M, Engelhard MH, Kukkadapu RK, Wu D, Ilton ES, Asta M, Sutton SR, Xu H, Navrotsky A. U(v) in metal uranates: a combined experimental and theoretical study of MgUO4, CrUO4, and FeUO4. Dalton Trans. 2016 Mar 21; 45(11):4622-32. PMID: 26854913.
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      10. Ding J, Ma E, Asta M, Ritchie RO. Second-Nearest-Neighbor Correlations from Connection of Atomic Packing Motifs in Metallic Glasses and Liquids. Sci Rep. 2015; 5:17429. PMID: 26616762.
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      11. Song G, Sun Z, Li L, Xu X, Rawlings M, Liebscher CH, Clausen B, Poplawsky J, Leonard DN, Huang S, Teng Z, Liu CT, Asta M, Gao Y, Dunand DC, Ghosh G, Chen M, Fine ME, Liaw PK. Ferritic Alloys with Extreme Creep Resistance via Coherent Hierarchical Precipitates. Sci Rep. 2015; 5:16327. PMID: 26548303.
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      12. Niu K, Frolov T, Xin HL, Wang J, Asta M, Zheng H. Bubble nucleation and migration in a lead-iron hydr(oxide) core-shell nanoparticle. Proc Natl Acad Sci U S A. 2015 Oct 20; 112(42):12928-32. PMID: 26438864.
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      13. de Jong M, Chen W, Geerlings H, Asta M, Persson KA. A database to enable discovery and design of piezoelectric materials. Sci Data. 2015; 2:150053. PMID: 26451252.
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      14. Wolff-Goodrich S, Lin F, Markus IM, Nordlund D, Xin HL, Asta M, Doeff MM. Tailoring the surface properties of LiNi0.4Mn0.4Co0.2O2 by titanium substitution for improved high voltage cycling performance. Phys Chem Chem Phys. 2015 Sep 14; 17(34):21778-81. PMID: 26247817.
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      15. de Jong M, Kacher J, Sluiter MH, Qi L, Olmsted DL, van de Walle A, Morris JW, Minor AM, Asta M. Electronic Origins of Anomalous Twin Boundary Energies in Hexagonal Close Packed Transition Metals. Phys Rev Lett. 2015 Aug 7; 115(6):065501. PMID: 26296121.
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      16. Palanisamy P, Jong Md, Asta M, Howe JM. Examination of the electronic structure of crystalline and liquid Al versus temperature by in situ electron energy-loss spectroscopy (EELS). Micron. 2015 Sep; 76:14-8. PMID: 26021258.
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      17. de Jong M, Chen W, Angsten T, Jain A, Notestine R, Gamst A, Sluiter M, Krishna Ande C, van der Zwaag S, Plata JJ, Toher C, Curtarolo S, Ceder G, Persson KA, Asta M. Charting the complete elastic properties of inorganic crystalline compounds. Sci Data. 2015; 2:150009. PMID: 25984348.
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      18. Yu Q, Qi L, Tsuru T, Traylor R, Rugg D, Morris JW, Asta M, Chrzan DC, Minor AM. Metallurgy. Origin of dramatic oxygen solute strengthening effect in titanium. Science. 2015 Feb 6; 347(6222):635-9. PMID: 25657243.
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      19. Wang Z, Yang Y, Olmsted DL, Asta M, Laird BB. Evaluation of the constant potential method in simulating electric double-layer capacitors. J Chem Phys. 2014 Nov 14; 141(18):184102. PMID: 25399127.
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      20. Markus IM, Lin F, Kam KC, Asta M, Doeff MM. Computational and Experimental Investigation of Ti Substitution in Li1(NixMnxCo1-2x-yTiy)O2 for Lithium Ion Batteries. J Phys Chem Lett. 2014 Nov 6; 5(21):3649-55. PMID: 26278733.
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      21. Kumar MH, Dharani S, Leong WL, Boix PP, Prabhakar RR, Baikie T, Shi C, Ding H, Ramesh R, Asta M, Graetzel M, Mhaisalkar SG, Mathews N. Lead-free halide perovskite solar cells with high photocurrents realized through vacancy modulation. Adv Mater. 2014 Nov; 26(41):7122-7. PMID: 25212785.
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      22. Frolov T, Carter WC, Asta M. Capillary instability in nanowire geometries. Nano Lett. 2014 Jun 11; 14(6):3577-81. PMID: 24842073.
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      23. Lin F, Markus IM, Nordlund D, Weng TC, Asta M, Xin HL, Doeff MM. Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries. Nat Commun. 2014; 5:3529. PMID: 24670975.
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      24. Hanken BE, Asta M, Casey WH. Computational characterization of the internal bonding and solvation structure for [Nb10O28]aq(6-). Phys Chem Chem Phys. 2013 Nov 20; 15(48):20929-36. PMID: 24201903.
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      25. Frolov T, Divinski SV, Asta M, Mishin Y. Effect of interface phase transformations on diffusion and segregation in high-angle grain boundaries. Phys Rev Lett. 2013 Jun 21; 110(25):255502. PMID: 23829744.
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      26. Ophus C, Santala MK, Asta M, Radmilovic V. Structure and phase transitions at the interface between a-Al2O3 and Pt. J Phys Condens Matter. 2013 Jun 12; 25(23):232202. PMID: 23696247.
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      27. Ozolinš V, Zhou F, Asta M. Ruthenia-based electrochemical supercapacitors: insights from first-principles calculations. Acc Chem Res. 2013 May 21; 46(5):1084-93. PMID: 23560700.
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      28. Yang Y, Asta M, Laird BB. Solid-liquid interfacial premelting. Phys Rev Lett. 2013 Mar 1; 110(9):096102. PMID: 23496728.
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      29. Frolov T, Olmsted DL, Asta M, Mishin Y. Structural phase transformations in metallic grain boundaries. Nat Commun. 2013; 4:1899. PMID: 23695693.
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      30. Frolov T, Asta M. Step free energies at faceted solid-liquid interfaces from equilibrium molecular dynamics simulations. J Chem Phys. 2012 Dec 7; 137(21):214108. PMID: 23231218.
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      31. Aguiar JA, Ramasse QM, Asta M, Browning ND. Investigating the electronic structure of fluorite-structured oxide compounds: comparison of experimental EELS with first principles calculations. J Phys Condens Matter. 2012 Jul 25; 24(29):295503. PMID: 22739407.
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      32. Zheng XQ, Yang Y, Gao YF, Hoyt JJ, Asta M, Sun DY. Disorder trapping during crystallization of the B2-ordered NiAl compound. Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Apr; 85(4 Pt 1):041601. PMID: 22680482.
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      33. Hanken BE, Shvareva TY, Grønbech-Jensen N, Stanek CR, Asta M, Navrotsky A. Energetics of cation mixing in urania-ceria solid solutions with stoichiometric oxygen concentrations. Phys Chem Chem Phys. 2012 Apr 28; 14(16):5680-5. PMID: 22434034.
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      34. Radmilovic V, Ophus C, Marquis EA, Rossell MD, Tolley A, Gautam A, Asta M, Dahmen U. Highly monodisperse core-shell particles created by solid-state reactions. Nat Mater. 2011 Sep; 10(9):710-5. PMID: 21822262.
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      35. Yang Y, Humadi H, Buta D, Laird BB, Sun D, Hoyt JJ, Asta M. Atomistic simulations of nonequilibrium crystal-growth kinetics from alloy melts. Phys Rev Lett. 2011 Jul 8; 107(2):025505. PMID: 21797620.
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      36. Olmsted DL, Buta D, Adland A, Foiles SM, Asta M, Karma A. Dislocation-pairing transitions in hot grain boundaries. Phys Rev Lett. 2011 Jan 28; 106(4):046101. PMID: 21405338.
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      37. Morris W, Leung B, Furukawa H, Yaghi OK, He N, Hayashi H, Houndonougbo Y, Asta M, Laird BB, Yaghi OM. A combined experimental-computational investigation of carbon dioxide capture in a series of isoreticular zeolitic imidazolate frameworks. J Am Chem Soc. 2010 Aug 18; 132(32):11006-8. PMID: 20698658.
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      38. Fensin SJ, Olmsted D, Buta D, Asta M, Karma A, Hoyt JJ. Structural disjoining potential for grain-boundary premelting and grain coalescence from molecular-dynamics simulations. Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Mar; 81(3 Pt 1):031601. PMID: 20365741.
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      39. Haxhimali T, Buta D, Asta M, Voorhees PW, Hoyt JJ. Size-dependent nucleation kinetics at nonplanar nanowire growth interfaces. Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Nov; 80(5 Pt 1):050601. PMID: 20364939.
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      40. Laird BB, Davidchack RL, Yang Y, Asta M. Determination of the solid-liquid interfacial free energy along a coexistence line by Gibbs-Cahn integration. J Chem Phys. 2009 Sep 21; 131(11):114110. PMID: 19778103.
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      41. Hoyt JJ, Olmsted D, Jindal S, Asta M, Karma A. Method for computing short-range forces between solid-liquid interfaces driving grain boundary premelting. Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Feb; 79(2 Pt 1):020601. PMID: 19391697.
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      42. Buta D, Asta M, Hoyt JJ. Atomistic simulation study of the structure and dynamics of a faceted crystal-melt interface. Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Sep; 78(3 Pt 1):031605. PMID: 18851047.
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      43. Warschkow O, Wang Y, Subramanian A, Asta M, Marks LD. Structure and local-equilibrium thermodynamics of the c(2x2) reconstruction of rutile TiO2 (100). Phys Rev Lett. 2008 Feb 29; 100(8):086102. PMID: 18352638.
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      44. Buta D, Asta M, Hoyt JJ. Kinetic coefficient of steps at the Si(111) crystal-melt interface from molecular dynamics simulations. J Chem Phys. 2007 Aug 21; 127(7):074703. PMID: 17718623.
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      45. Becker CA, Hoyt JJ, Buta D, Asta M. Crystal-melt interface stresses: atomistic simulation calculations for a Lennard-Jones binary alloy, Stillinger-Weber Si, and embedded atom method Ni. Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Jun; 75(6 Pt 1):061610. PMID: 17677276.
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      46. Becker CA, Olmsted D, Asta M, Hoyt JJ, Foiles SM. Atomistic underpinnings for orientation selection in alloy dendritic growth. Phys Rev Lett. 2007 Mar 23; 98(12):125701. PMID: 17501136.
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      47. Becker CA, Asta M, Hoyt JJ, Foiles SM. Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys. J Chem Phys. 2006 Apr 28; 124(16):164708. PMID: 16674158.
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      48. Moore CJ, Retford CM, Beck MJ, Asta M, Miksis MJ, Voorhees PW. Orientation dependence of strained-Ge surface energies near (001): role of dimer-vacancy lines and their interactions with steps. Phys Rev Lett. 2006 Mar 31; 96(12):126101. PMID: 16605929.
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      49. Reichert H, Schöps A, Ramsteiner IB, Bugaev VN, Shchyglo O, Udyansky A, Dosch H, Asta M, Drautz R, Honkimäki V. Competition between order and phase separation in Au-Ni. Phys Rev Lett. 2005 Dec 2; 95(23):235703. PMID: 16384319.
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      50. Shklyaev OE, Beck MJ, Asta M, Miksis MJ, Voorhees PW. Role of strain-dependent surface energies in Ge/Si(100) island formation. Phys Rev Lett. 2005 May 6; 94(17):176102. PMID: 15904314.
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      51. Erdman N, Warschkow O, Asta M, Poeppelmeier KR, Ellis DE, Marks LD. Surface structures of SrTiO3 (001): a TiO2-rich reconstruction with a c(4 x 2) unit cell. J Am Chem Soc. 2003 Aug 20; 125(33):10050-6. PMID: 12914468.
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      52. Marquis EA, Seidman DN, Asta M, Woodward C, Ozolins V. Mg segregation at Al/Al3Sc heterophase interfaces on an atomic scale: experiments and computations. Phys Rev Lett. 2003 Jul 18; 91(3):036101. PMID: 12906429.
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      53. Erdman N, Poeppelmeier KR, Asta M, Warschkow O, Ellis DE, Marks LD. The structure and chemistry of the TiO(2)-rich surface of SrTiO(3) (001). Nature. 2002 Sep 5; 419(6902):55-8. PMID: 12214229.
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      54. Krack BD, Ozolins V, Asta M, Daruka I. "Devil's staircases" in bulk-immiscible ultrathin alloy films. Phys Rev Lett. 2002 May 6; 88(18):186101. PMID: 12005701.
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      55. Ozolins V, Asta M, Hoyt JJ. Elastic relaxations in ultrathin epitaxial alloy films. Phys Rev Lett. 2002 Mar 4; 88(9):096101. PMID: 11864030.
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      56. Hoyt JJ, Asta M, Karma A. Method for computing the anisotropy of the solid-liquid interfacial free energy. Phys Rev Lett. 2001 Jun 11; 86(24):5530-3. PMID: 11415293.
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      57. Thayer GE, Ozolins V, Schmid AK, Bartelt NC, Asta M, Hoyt JJ, Chiang S, Hwang RQ. Role of stress in thin film alloy thermodynamics: competition between alloying and dislocation formation. Phys Rev Lett. 2001 Jan 22; 86(4):660-3. PMID: 11177906.
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      58. Ozolins V, Asta M. Large vibrational effects upon calculated phase boundaries in Al-Sc. Phys Rev Lett. 2001 Jan 15; 86(3):448-51. PMID: 11177852.
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      59. Hoyt JJ, Asta M, Sadigh B. Test of the universal scaling law for the diffusion coefficient in liquid metals. Phys Rev Lett. 2000 Jul 17; 85(3):594-7. PMID: 10991348.
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