Browsing by Author "Buldum, A."

Now showing items 1-15 of 15

    • Atomic scale study of friction and energy dissipation 

      Çıracı, Salim; Buldum, A. (Elsevier, 2003-05)
      This paper presents an analysis of the interaction energy and various forces between two surfaces, and the microscopic study of friction. Atomic-scale simulations of dry sliding friction and boundary lubrication are based ...

    • Atomic-scale study of dry sliding friction 

      Buldum, A.; Çıracı, Salim (American Physical Society, 1997)
      We present a theoretical study of dry sliding friction, which has a close bearing on the experiments done by using the atomic and friction force microscope. By performing atomic-scale calculations for the friction between ...

    • Conductance through a single atom 

      Mehrez, H.; Çıracı, Salim; Buldum, A.; Batra, I. P. (American Physical Society, 1997)
      In this paper we present an analysis of conduction through a single atom between two metal electrodes. Based on ab initio total-energy and electronic-structure calculations, and molecular-dynamics simulations using the ...

    • Contact, nanoindentation, and sliding friction 

      Buldum, A.; Çıracı, Salim; Batra, I. P. (American Physical Society, 1998)
      This paper presents an atomic-scale study of contact, indentation, and subsequent pulling and dry sliding of a sharp and blunt metal tip on a metal surface. The evolution of atomic structure and the variation of perpendicular ...

    • Controlled lateral and perpendicular motion of atoms on metal surfaces 

      Buldum, A.; Çıracı, Salim (American Physical Society, 1996)
      We present the theoretical study of the controlled lateral and perpendicular motion of Xe on the Pt(111) surface. The lateral translation of Xe is manipulated by a tungsten tip of a scanning tunneling microscope. Using ...

    • First-principles investigation of structural and electronic properties of solid cubane and its doped derivatives 

      Yildirim, T.; Çıracı, Salim; Kılıç, Ç.; Buldum, A. (American Physical Society, 2000)
      The electronic and structural properties of molecular and solid cubane have been studied by first-principles, self-consistent field total energy calculations. Calculated molecular properties such as equilibrium geometry ...

    • Interplay between stick-slip motion and structural phase transitions in dry sliding friction 

      Buldum, A.; Çıracı, Salim (American Physical Society, 1997)
      Simulations of dry sliding friction between a metal asperity and an incommensurate metal surface reveal unusual atomic processes. The lateral force exhibits a quasiperiodic variation with the displacement of an asperity; ...

    • Interpretation of long-range interatomic force 

      Buldum, A.; Çıracı, Salim; Fong, C. Y.; Nelson J. S. (American Physical Society, 1999)
      Recent direct mechanical measurements of atomic force microscopy showed that the force between the silicon tip and the silicon sample is long range in the attractive region and its magnitude at maximum is relatively smaller. ...

    • Lateral translation of an Xe atom on metal surfaces 

      Buldum, A.; Çıracı, Salim; Erkoç, Ş. (Institute of Physics Publishing, 1995)
      This work presents the theoretical study of the controlled lateral translation of an Xe atom physisorbed on the Ni(110) surface. The motion of the Xe is manipulated by the tip of the scanning tunnelling microscope. The ...

    • Model for phononic energy dissipation in friction 

      Buldum, A.; Leitner, D. M.; Çıracı, Salim (American Physical Society, 1999)
      We have developed a microscopic model of phononic energy dissipation in friction that involves the generation of a local excess phonon distribution in a nanoparticle between two sliding objects, and its damping into the ...

    • Quantum effects in electrical and thermal transport through nanowires 

      Çıracı, Salim; Buldum, A.; Batra, I. P. (Institute of Physics Publishing, 2001)
      Nanowires, point contacts and metallic single-wall carbon nanotubes are one-dimensional nanostructures which display important size-dependent quantum effects. Quantization due to the transverse confinement and resultant ...

    • Quantum heat transfer through an atomic wire 

      Buldum, A.; Çıracı, Salim; Fong, C. Y. (IOP Publishing Ltd., 2000)
      We studied the phononic heat transfer through an atomic dielectric wire with both infinite and finite lengths by using a model Hamiltonian approach. At low temperature under ballistic transport, the thermal conductance ...

    • Structure of aluminum atomic chains 

      Sen, P.; Çıracı, Salim; Buldum, A.; Batra, I. P. (American Physical Society, 2001)
      First-principles density-functional calculations reveal that aluminum can form planar chains in zigzag and ladder structures. The most stable one has equilateral triangular geometry with four nearest neighbors; the other ...

    • Theoretical study of boundary lubrication 

      Buldum, A.; Çıracı, Salim (American Physical Society, 1999)
      We analyzed the dynamics of xenon atoms as lubricant between two Ni(110) slabs in relative motion. Atomic simulations are carried out by using classical molecular dynamics with realistic empirical potentials, where nickel ...

    • Thermal conduction through a molecule 

      Buldum, A.; Leitner, D. M.; Çıracı, Salim (E D P Sciences, 1999)
      The quantum features of phononic thermal conduction through a molecule between two reservoirs have been studied in the weak-coupling limit. As opposed to ballistic heat transfer through a uniform bridge or atomic chain ...