Los Alamos National Laboratory

Los Alamos National Laboratory

Delivering science and technology to protect our nation and promote world stability

Los Alamos National Laboratory Basic Energy Sciences Publications - 2018

Peer-reviewed publications sponsored by the DOE Office of Science, Office of Basic Energy Sciences.


  • Albaugh, A., T. Head-Gordon, and A. M. N. Niklasson, 2018:  Higher-order extended Lagrangian Born-Oppenheimer molecular dynamics for classical polarizable models.  J. Chem. Theory Comput., 14, 499-511. https://doi.org/10.1021/acs.jctc.7b01041
  • Altman, A. B., et al., (LANL author: E. D. Bauer) 2018:  Dual roles of f electrons in mixing AL 3p character into d-orbital conduction bands for landthanide and actinide dialuminides.  Phys. Rev. B, 97, 045110https://doi.org/10.1103/PhysRevB.97.045110
  • Auchter, E., J. Marquez, G. Stevens, R. Silva, Q. Mcculloch, Q. Guengerich, A. Blair, S. Litchfield, N. Li, C. Sheehan, R. Chamberlin, S. L. Yarbro, and E. Dervishi, 2018:  Ultra-thin and strong formvar-based membranes with controlled porosity for micro- and nano-scale systems. Nanotechnology29, 215712. https://doi.org/10.1088/1361-6528/aab4a4  
  • Aydogan, E., J. S. Weaver, S. A.  Maloy, O. El-Atwani, Y. Q. Wang, and N. A. Mara, 2018: Microstructural and mechanical properites of FeCrAl alloys under heavy ion irradiation.  J. Nucl. Mater., 503, 250-262.  https://doi.org/10.1016/j.jnucmat.2018.03.002  
  • Bjorgaard, J. A., D. Sheppard, S. Tretiak, and A. M. N. Niklasson, 2018:  Extended Lagrangian excited state molecular dynamics.  J. Chem. Theory Comput., 14, 799-806.  https://doi.org/10.1021/acs.jctc.7b00857
  • Boyko, D., A. V. Balatsky, and J. T. Haraldsen, 2018:  Evolution of magnetic Dirac bosons in a honeycomb lattice.  Phys. Rev. B, 97, 014433. https://doi.org/10.1103/PhysRevB.97.014433 
  • Cadilhe, A., and A. F. Voter, 2018:  Langevin synchronization in a time-dependent, harmonic basin: An exact solution in 1D.  J. Chem. Phys., 148, 084107.  https://doi.org/10.1063/1.5016632
  • Cary, S. K., et al., (LANL authors:  J. N. Cross, M. G. Ferrier, V. Mocko, B. W. Stein, S. A. Kozimor, B. L. Scott) 2018:  Advancing understanding of the +4 metal extractant thenoyltrifluoroacetonate (TTA‾): Synthesis and structure of MIVTTA4 (MIV = Zr, Hf, Ce, Th, U, Np, Pu) and MIII(TTA)4 ‾ (MIII = Ce, Nd, Sm, Yb). Inorg. Chem.57, 3782-3797.  https://doi.org/10.1021/acs.inorgchem.7b03089 
  • Chen, K., et al., (LANL authors: E. D. Bauer, P. F. S. Rosa, J. L. Sarrao, J. D. Thompson) 2018:  Evolution of ground-state wave function in CeCoIn5 upon Cd or Sn doping.  Phys. Rev. B, 97, 045134.  https://doi.org/10.1103/PhysRevB.97.045134
  • Crook, C. B., G. Houchins, J. X. Zhu, A. V. Balatsky, C. Constantin, and J. T. Haraldsen, 2018:  Spatial dependence of the super-exchange interactions for transition-metal trimers in graphene.  J. Appl. Phys., 123, 013903.  https://doi.org/10.1063/1.5007274
  • Cui, Q, et al., (LANL author: S. Tretiak) 2018:  Single crystal microwires of p-DTS(FBTTh2)2 and their use in the fabrication of field-effect transistors and photodetectors.  Adv. Funct. Mater., 28, 1702073.  https://doi.org/10.1002/adfm.201702073 
  • Derby, B., Cui, Y, J. K. Baldwin, and A. Misra, 2018:  Effects of substrate temperature and deposition rate on the phase separated morphology of co-sputtered, Cu-Mo thin films.  Thin Solid Films, 647, 50-56.  https://doi.org/10.1016/j.tsf.2017.12.013
  • Dewers, T. A., J. E. Heath, C. R. Bryan, J. T. Mang, R. P. Hjelm, M. Ding, and M. Taylor, 2018:  Oedometric small-angle neutron scattering: In situ observation of nanopore structure during bentonite consolidation and swelling in dry and hydrous CO2 environments. Environ. Sci Technol.52, 3758-3768. https://doi.org/10.1021/acs.est.7b04205 
  • Eftink, B. P., N. A. Mara, O. T. Kingstedt, D. Safarik, S. Wang, J. Lambros, and I. M. Robertson, 2018:  Deformation response of cube-on-cube and non-coherent twin interfaces in AgCu eutectic under dynamic plastic compression.  Mater. Sci. Eng. A, 712, 313-324.  https://doi.org/10.1016/j.msea.2017.11.108
  • Gao, N., D. Perez, G. H. Lu, and Z. G. Wang, 2018: Molecular dynamics study of the interaction between nanoscale interstitial dislocation loops and grain boundaries in BCC iron.  J. Nucl. Mater.498, 378-386.  https://doi.org/10.1016/j.jnucmat.2017.10.069 
  • Geilhufe, R. M., and A. V. Balatsky, 2018: Symmetry analysis of odd- and even-frequency superconducting gap symmetries for time-reversal symmetric interactions.  Phys. Rev. B, 97, 024507.  https://doi.org/10.1103/PhysRevB.97.024507
  • Geilhufe, R. M., S. S. Borysov, D. Kalpakchi, and A. V. Balatsky, 2018: Towards novel organic high-Tc superconductors: Data mining using density of states similarity search.  Phys. Rev. Mater., 2, 024802https://doi.org/10.1103/PhysRevMaterials.2.024802
  • Gifford, B. J., S. Kilina, H. Htoon, S. K. Doorn, and S. Tretiak, 2018:  Exciton localization and optical emission in aryl-functionalized carbon nanotubes.  J. Phys. Chem. C, 122, 1828-1838. https://doi.org/10.1021/acs.jpcc.7b09558 
  • Goremychkin, E. A., et al., (LANL authors: E. D. Bauer, K. J. McClellan, D. D. Byler, J. M. Lawrence) 2018: Coherent band excitations in CePd3: A comparison of neutron scattering and ab initio theory.  Science, 359, 186-191. https://doi.org/10.1126/science.aan0593
  • Gyenis, A., B. E. Feldman, M. T. Randeria, G. A. Peterson, E. D. Bauer, P. Aynajian, and A. Yazdani, 2018:  Visualizing heavy fermion confinement and Pauli-limited superconductivity in layered CeCoIn5.  Nature Communications, 9, 549.  https://doi.org/10.1038/s41467-018-02841-9
  • Huang, Z., W. Zhu, D. P. Arovas, J.-X. Zhu, and A. V. Balatsky, 2018:  Invariance of topological indices under Hilbert space truncation.  Phys. Rev. Lett., 120, 016403.  https://doi.org/10.1103/PhysRevLett.120.016403
  • Huber, R. C., B. S. Ringstrand, D. M. Dattlebaum, R. L. Gustavsen, S. Seifert, M. A. Firestone, and D. W. Podlesak, 2018: Extreme condition nanocarbon formation under air and argon atmospheres during detonation of compostion B-3.  Carbon, 126, 289-298. https://doi.org/10.1016/j.carbon.2017.10.008
  • Hyman, J. D., S. Karra, J. W. Carey, C. W. Gable, H. Viswanathan, E. Rougier, and Z. Lei, 2018:  Discontinuities in effective permeability due to fracture percolation.  Mech. Mater., 119, 25-23.  https://doi.org/10.1016/j.mechmat.2018.01.005
  • Jung, S.-G., S. Seo, S. Lee, E. D. Bauer, H.O. Lee, and T. Park, 2018:  A peak in the critical current for quantum critical superconductors.  Nature Communications, 9, 434.  https://doi.org/10.1038/s41467-018-02899-5
  • Kreller, C. R., J. A. Valdez, T. G. Holesinger, R. Mukundan, E. L. Brosha, T. Williamson, Y. Q. Wang, and B. P. Uberuaga, 2018:  Synthesis and characterization of dense Gd2Ti2O7 pyrochlore thin films deposited using RF magnetron sputtering. Solid State Ionics, 314, 36-40.  https://doi.org/10.1016/j.ssi.2017.10.009 
  • Kumar, M. A., M. Wronski, R. J. McCabe, L. Capolungo, K. Wierzbanowski, and C. N. Tomé, 2018:  Role of microstructure on twin nucleation and growth in HCP titanium: A statistical study. Acta Materialia148, 123-132. https://doi.org/10.1016/j.actamat.2018.01.041 
  • Lim, J., Y.-S. Park, and V. Klimov, 2018:  Optical gain in colloidal quantum dots achieved with direct-current electrical pumping. Nature Materials, 17, 42-49.  https://doi.org/10.1038/NMAT5011
  • Liu, Y., J. E. S. Szymanowski, G. E. Sigmon, D. E. Morris, A. E. Hixon, A. Migliori, and P. C. Burns, 2018:  Measurement of the effective capacitance of solutions containing nanoscale uranyl peroxide cage clusters (U60) reveals cluster effects.  J. Radioanal. Nucl. Chem., 315, 341-346.  https://doi.org/10.1007/s10967-017-5659-2
  • Luo, Y., S-Z. Lin, D. M. Fobes, Z. Liu, E. D. Bauer, J. B. Betts, A. Migliori, J. D. Thompson, M. Janoschek, and B. Maiorov, 2018: Anisotropic magnetocrystalline coupling of the skyrmion lattice in MnSi.  Phys. Rev. B, 97, 104423.  https://doi.org/10.1103/PhysRevB.97.104423
  • Mace, B., Z. Harrell, C. Chen, E. Enriquez, A. Chen, and Q. Jia, 2018:  Role of temperature and oxygen content on structural and electrical properties of LaBaCo2O5+δ thin films.  Appl. Phys. Lett., 112, 073905.  https://doi.org/10.1063/1.5009245
  • Merrill, F. E., et al., (LANL authors: J. Goett, J. W. Gibbs, S. D. Imhoff, F. G. Mariam, C. L. Morris, L. P Neukirch, J. Perry, D. Poulson, R. Simpson, P. L. Volegov, P. L. Walstrom, C. Wilde) 2018:  Demonstration of transmission high energy electron microscopy.  Appl. Phys. Lett., 112, 144103.  https://doi.org/10.1063/1.5011198
  • Nebgen, B. T., et al., (LANL authors: H. D. Magurudeniya, K. W. C.Kwock, B. S. Ringstrand, T. Ahmed, J-X. Zu, S. Tretiak, M. A. Firestone) 2018:  Design principles from multiscale simulations to predict nanostructure in self-assembling ionic liquids.  Faraday Discuss, 206, 159-181.  https://doi.org/10.1039/c7fd00154a
  • Nie, W., et al., (LANL authors:  H. Tsai, J-C. Blancon, F. Liu, S. Tretiak, J. Crochet, P. M. Ajayan, A. D. Mohite) 2018:  Critical role of interface and crystallinity on the performance of photostability of perovskite solar cell on nickel oxide.  Adv. Mater., 30, 1703879.  https://doi.org/10.1002/adma.201703879
  • Nieman, R., et al., (LANL authors: H. Tsai, W. Nie, A. D. Mohite, S. Tretiak) 2018:  The crucial role of a spacer material on the efficiency of charge transfer processes in organic donor-acceptor junction solar cells.  Nanoscale, 10, 451-459.  https://doi.org/10.1039/c7nr07125f
  • Park, E., et al., (LANL authors: F. Ronning, J. D. Thompson, X. Lu) 2018:  Spectroscopic evidence for two-gap superconductivity in the quasi-1D chalcogenide Nb2Pd0.81S5. J. Phys.: Condens. Matter, 30, 165401.  https://doi.org/10.1088/1361-648X/aab5e5
  • Pertsova, A., and A. V. Balatsky, 2018: Excitonic instability in optically pumped three-dimensional Dirac materials.  Phys. Rev. B, 97, 075109.  https://doi.org/10.1103/PhysRevB.97.075109
  • Pershoguba, S., S. Banerjee, J. C. Lashley, J. Park, H. Agren, G. Aeppli, and A. V. Balatsky, 2018:  Dirac magnons in honeycomb ferromagnets.  Phys. Rev. X, 8, 011010.  https://doi.org/10.1103/PhysRevX.8.011010
  • Peterson, G. G., Q. Su, Y. Wang, N. J. Ianno, P. A. Dowben, and M. Nastasi, 2018:  Improved a-B10C2+xHy/Si p-n heterojunction performance after neutron irradiation.  J. Vac. Sci. Technol. B, 36, 011207.  https://doi.org/10.1116/1.5008999
  • Qin, W., et al., (LANL author:  Y. Wang) 2018:  Helium retention in krypton ion pre-irradiated nanochannel W film.  Nucl. Fusion, 58, 026021.  https://doi.org/10.1088/1741-4326/aa94f0
  • Qin, W., et al., (LANL authors:  Y. Wang, M. Tang) 2018:  Microstructure and hardness evolution of nanochannel W films irradiated by helium at high temperature.  J. Nucl. Mater., 502, 132-140.  https://doi.org/10.1016/j.jnucmat.2018.02.013
  • Ryan, D. P., P. M. Goodwin, C. J. Sheehan, K. J. Whitcomb, M. P. Gelfand, and A. Van Orden, 2018: Mapping emissions from clusters of CdSe/ZnS nanoparticles.  J. Phys. Chem C., 122, 4046-4053.  http://doi.org/10.1021/acs.jpcc.7b10924 
  • Schneider, J., J. Cob, J. S. Carpenter, and N. A. Mara, 2018:  Maintaining nano-lamellar microsctructure in friction stir welding (FSW) of accumulative roll bonded (ARB) Cu-Nb nano-lamellar composites (NLC).  J. Mat. Sci., 34, 92-101.  https://doi.org/10.1016/j.jmst.2017.10.016
  • Schultz, B. M., N. Li, D. R. Economy, J. L. Sharp, N. A. Mara, and M. S. Kennedy, 2018:  Tribological performance of monolithic copper thin films during nanowear.  Wear, 394-395, 50-59.  https://doi.org/10.1016/j.wear.2017.10.005
  • Shin, S., et al., (LANL authors: P. F. S. Rosa, F. Ronning, J. D. Thompson, B. L. Scott, E. D. Bauer) 2018: Synthesis and characterization of the heavy-fermion compound CePtAl4Ge2. J. Alloys Compd., 738, 550-555.  https://doi.org/10.1016/j.jallcom.2017.12.180
  • Simpson, J. R., et al., (LANL authors:  H. H. Hároz, J. J. Crochet, H. Telg, A. Piryatinski, S. K. Doorn) 2018: Resonance Raman signature of intertube excitons in compositionally-defined carbon nanotube bundles.  Nature Comm., 9, 637.  https://doi.org/10.1038/s41467-018-03057-7
  • Song, H.-J., B. G. Jeong, J. Lim, D. C. Lee, W. K. Bae, and V. I. Klimov, 2018: Performance limits of luminescent solar concentrators tested with seed/quantum-well quantum dots in a selective-reflector-based optical cavity.  Nano Lett., 18, 395-404.  https://doi.org/10.1021/acs.nanolett.7b04263
  • Stein, B. W., S. K. Cary, J. M. Berg, E. R. Birnbaum, S. A. Kozimor, V. Mocko, and B. L. Scott, 2018:  A series of F-Element chelators; diaza crown ethers functionalized with catecholate binding substituents. J. Organomet. Chem., 857, 170-179.  https://doi.org/10.1016/j.jorganchem.2017.11.026
  • Stier, A. V., N. P. Wilson, K. A. Velizhanin, J. Kono, X. Xu, and S. A. Crooker, 2018:  Magnetooptics of exciton Rydberg states in a monolayer semiconductor.  Phys. Rev. Lett., 120, 057405. https://doi.org/10.1103/PhysRevLett.120.057405
  • Sung, N. H., F. Ronning, J. D. Thompson, and E. D. Bauer, 2018:  Magnetic phase dependence of the anomalous Hall effect in Mn3Sn single crystals.  Appl. Phys. Lett., 112, 132406.   https://doi.org/10.1063/1.5021133
  • Tang, J., et al., (LANL author: Y. Wang) 2018:  Microstructural evolution of nanochannel CrN films under ion irradiation at elevated temperature and post-irradiation annealing. J. Nucl. Mater., 500, 242-251.  https://doi.org/10.1016/j.jnucmat.2017.12.040 
  • Uberuaga, B. P., E. Martinez, D. Perez, and A. F. Voter, 2018:  Discovering mechanisms relevant for radiation damage evolution. Comput. Mater. Sci., 147, 282-292. https://doi.org/10.1016/j.commatsci.2018.01.052
  • Wang, H., et al., (LANL authors:  E. D. Bauer, J. D. Thompson) 2018: Superconductivity in pressurized CeRhGe3 and related noncentrosymmetric compounds.  Phys. Rev. B, 97, 064514.  https://doi.org/10.1103/PhysRevB.97.064514
  • Wang, Q., A. P. Chen, E. J. Guo, M. A. Roldan, Q. X. Jia, and M. R. Fitzsimmons, 2018:  Upper limit for the effect of elastic bending stress on the saturation magnetization of La0.8Sr0.2MnO3. Phys. Rev. B, 97, 014437.  https://doi.org/10.1103/PhysRevB.97.014437
  • Weaver, J. S., C. Sun, Y. Wang, S. R. Kalidindi, R. P. Doerner, N. A. Mara, and S. Pathak, 2018:  Quantifying the mechanical effects of He, W and He + W ion irradiation on tungsten with spherical nanoindentation.  J. Mater. Sci., 53, 5296-5316. https://doi.org/10.1007/s10853-017-1833-8  
  • Wu, K., H. Li, and V. I. Klimov, 2018:  Tandem luminescent solar concentrators based on engineering quantum dots.  Nature Photonics, 12, 105-110.  https://doi.org/10.1038/s41566-017-0070-7
  • Yamaguchi, H., et al., (LANL authors: F. Liu, C. W. Narvaez Villarrubia, V. Pavlenko, A. D. Mohite, N. A. Moody) 2018:  Free-standing bialkali photocathodes using atomically thin substrates. Adv. Mater. Interfaces, 2018, 1800249. https://doi.org/10.1002/admi.201800249 
  • Yang, L. W., et al., (LANL authors:  N. Li, J. K. Baldwin, N. A. Mara) 2018:  Mechanical properties of metal-ceramic nanolaminates: Effect of constraint and temperature.  Act. Mater., 142, 37-48.  https://doi.org/10.1016/j.actamat.2017.09.042
  • Yeager, J. D., E. B. Watkins, A. L. Higginbotham Duque, and J. Majewski, 2018:  The thermal and microstructural effect of plasticizing HMX-nitrocellulose composites.  J. Energ. Mater., 36, 13-28.  https://doi.org/10.1080/07370652.2017.1301597
  • Yoo, J., et al., (LANL authors:  T. Ahmed, A. Chen) 2018:  Enhanced nucleation of germanium on graphene via dipole engineering.  Nanoscale, 10, 5689-5694.  https://doi.org/10.1039/c7nr06684h
  • Zhang, J., et al., (LANL authors: L. Zhou, S. Tretiak) 2018:  Universal scaling of intrinsic resistivity in two-dimensional metallic borophene.  Angew. Chem. Ins. Ed., 57, 4585-4589.  https://doi.org/10.1002/anie.201800087
  • Zhou, L., et al., (LANL authors:  A. J. Neukirch, A. D. Mohite, S. Tretiak) 2018: Density of states broadening in CH3NH3PbI3 hybrid perovskites understood from ab initio molecular dynamics simulations.  ACS Energy Lett., 3, 787-793.  https://doi.org/10.1021/acsenergylett.8b00166


Visit Blogger Join Us on Facebook Follow Us on Twitter See our Flickr Photos Watch Our YouTube Videos Find Us on LinkedIn Find Us on iTunesFind Us on GooglePlayFind Us on Instagram