Home Physical Sciences Interatomic Bond Rupture in the System of Two Coupled Anharmonic Chains with a Weak Interaction
Chapter
Licensed
Unlicensed Requires Authentication

Interatomic Bond Rupture in the System of Two Coupled Anharmonic Chains with a Weak Interaction

Become an author with De Gruyter Brill
Explore this Subject How to publish with us
Volume 89, Number 1 May 16
This chapter is in the book Volume 89, Number 1 May 16
Short Notes K51 phys. stat. sol. (a) 89, K51 (1985) Subject classification: 10.2 and 12.2; 22.9 M.I. Kalinin Leningrad Polytechnical Institute* ^ Interatomic Bond Rupture in the System of Two Coupled Anharmonic Chains with a Weak Interaction By A.V. IVANOV and A.I. MELKER Computer experiments /I to 3/ showed that the rupture fluctuation structure was qualitatively the same for both mechanical and thermal destruction of an-harmonic chains composed of atoms with one or two degrees of freedom. However, the attempts to use the results obtained for the explanation of real polymer fracture meet with objections, because the above-mentioned materials are characterized with an intermolecular interaction. For silicate glasses this interaction has the order of the interatomic one in a chain, but in case of organic polymers it is less by one or two orders /4/. The fracture of two coupled anharmonic chains with a strong interaction was studied in /5/. It was shown that the structure of rupture fluctuations did not change radically in comparison with a sole chain. In this note, the breaking of two coupled anharmonic chains with a weak interaction is studied by the molecular dynamics technique. Similarly to /5/ the investigated system comprised two chains, each chain containing 40 atoms with two degrees of freedom. Initially the chains were oriented along the x-axis and displaced with respect to each other by half an interatomic distance. A constant force was applied to the first and last atoms of each chain. The pairwise atomic interaction was described by the Morse potential with the cut-off radius r = 1.3 7 r , where r is the equilibrium moo interatomic distance; thereby we took into consideration the nearest neighbour interactions only. The dissociation energy of the atom pairs belonging to dif-ferent chains was reduced by ten times that of the atom pairs put in one and the same chain. The velocity components were selected at random from a Maxwellian distribution corresponding to a given temperature so that the atomic kinetic energies along the x-axis and in the normal direction were the same. In other respects, the technique used was analogous to that of the previous publications /I to 3, 5/. l)ul. Politekhnicheskaya 29, 195251 Leningrad, USSR.
© 2021 Walter de Gruyter GmbH, Berlin/Munich/Boston

Short Notes K51 phys. stat. sol. (a) 89, K51 (1985) Subject classification: 10.2 and 12.2; 22.9 M.I. Kalinin Leningrad Polytechnical Institute* ^ Interatomic Bond Rupture in the System of Two Coupled Anharmonic Chains with a Weak Interaction By A.V. IVANOV and A.I. MELKER Computer experiments /I to 3/ showed that the rupture fluctuation structure was qualitatively the same for both mechanical and thermal destruction of an-harmonic chains composed of atoms with one or two degrees of freedom. However, the attempts to use the results obtained for the explanation of real polymer fracture meet with objections, because the above-mentioned materials are characterized with an intermolecular interaction. For silicate glasses this interaction has the order of the interatomic one in a chain, but in case of organic polymers it is less by one or two orders /4/. The fracture of two coupled anharmonic chains with a strong interaction was studied in /5/. It was shown that the structure of rupture fluctuations did not change radically in comparison with a sole chain. In this note, the breaking of two coupled anharmonic chains with a weak interaction is studied by the molecular dynamics technique. Similarly to /5/ the investigated system comprised two chains, each chain containing 40 atoms with two degrees of freedom. Initially the chains were oriented along the x-axis and displaced with respect to each other by half an interatomic distance. A constant force was applied to the first and last atoms of each chain. The pairwise atomic interaction was described by the Morse potential with the cut-off radius r = 1.3 7 r , where r is the equilibrium moo interatomic distance; thereby we took into consideration the nearest neighbour interactions only. The dissociation energy of the atom pairs belonging to dif-ferent chains was reduced by ten times that of the atom pairs put in one and the same chain. The velocity components were selected at random from a Maxwellian distribution corresponding to a given temperature so that the atomic kinetic energies along the x-axis and in the normal direction were the same. In other respects, the technique used was analogous to that of the previous publications /I to 3, 5/. l)ul. Politekhnicheskaya 29, 195251 Leningrad, USSR.
© 2021 Walter de Gruyter GmbH, Berlin/Munich/Boston

Chapters in this book

  1. Frontmatter I
  2. Author Index III
  3. Contents 1
  4. Review Article
  5. The Pulsed MIS Capacitor: A Critical Review 13
  6. Original Papers
  7. Structure
  8. Neutron Diffraction by a Mosaic Crystal with Large Crystallite 45
  9. A Model of Crystallization Processes Controlled by Temperature Pulses in Amorphous Semiconductors 57
  10. Structural and Electrical Properties of the LaCo 1-x MnxO2 and LaCo 1-x FexO3 Systems 65
  11. Liquidus Curves of Eutectic Na-K and Na-Cs Systems from Semiempirical Theories of Mixtures 73
  12. Double Crystal Topography Compensating for the Strain in Processed Samples 79
  13. Determination of Sulphur Coverages on F e ( l l l ) by Means of Quantitative Auger-Electron Spectrometry 89
  14. Defects, atomistic aspects
  15. Fast-Neutron Radiation Damages in Heavily Doped p-Silicon 95
  16. Diffusion of Antimony (125Sb) in Polycrystalline Silicon 105
  17. Instability Conditions for a Spatially Homogeneous Yoid Distribution in Irradiated Metals 117
  18. H and D Diffusion in Y and Nb in the Presence of a Temperature Gradient 123
  19. Contrast Analysis of Intrinsic and Extrinsic Stacking Faults in H.C.P. Cobalt 133
  20. Conduction Electron Spin Resonance of Blue Sodalite 147
  21. Irradiation-Induced Aggregate Centers in Single Crystal A1203 155
  22. The Effect of Temperature on Dislocation Structures in Ni3Al 163
  23. The Chemical Diffusion of In in Hg 0.8 Cd 0.2 Te 173
  24. Effect of Plastic Deformation on the Density of Mg-Doped LiF Crystals 185
  25. Low-Temperature Internal Friction Peaks in Pure Zirconium Deformed at 300 K 191
  26. Ordering of Defects, Thermodynamic and Transport Properties of Solid Oxide Electrolytes with Fluorite Structure 199
  27. Magnetism
  28. The Magnetic Relaxation Spectrum of Plastically Deformed Non-Oriented Iron-Silicon Steel in the Temperature Bange 200 to 800 K 213
  29. Extended electronic states and transitions
  30. Indirect Electronic Transitions in Single Crystals of Triglycine Sulfate By 225
  31. Localized electronic states and transitions
  32. Application of the Fractional Glow Technique in the Analysis of a Complex Thermoluminescence Pattern 231
  33. Annealing-Induced Changes in the Photoluminescence of Deformed CaO Single Crystals 237
  34. EPR Studies of Dimensionality in Copper Calcium Acetate Hexahydrate 243
  35. On the Thermoluminescent Mechanism of a Calcium Fluorapatite Single Crystal Doped with Mn 2+ 249
  36. Electrical and Optical Properties of Non-Crystalline As-Se-Cd Thin Films 255
  37. Absorption Centers of Bi12GeO20 and Bi12SiO20 Crystals 263
  38. Propriétés structurales, magnétiques et électriques des oxyfluorures V 1-x MxO 2-2x F2x (M = Mg, Ni) 271
  39. Electric transport
  40. Photo-Generated Carriers in Structures with Nonlinear Band-Gap Changes 283
  41. Effect of Multiple Trapping on Photoreceptor Discharge Characteristics under the Condition of Surface Carrier Generation 293
  42. Kinetic Properties and Phase Transitions in Sb2Te3 under Hydrostatic Pressure up to 9 GPa 301
  43. Dose Effects in Transient Radiation-Induced Conductivity in Polymers 311
  44. Electrodeposited Tungsten Selenide Films II. Optical, Electrical, Electrochemical Characterization and Photoelectrochemical Solar Cell Studies 321
  45. The Effect of Pressure on Conductivity and Permittivity of As2Te3-Based Glasses 333
  46. Damage Profiles after 50 to 500 MeV Ion Implantation as Deduced from Thyristor Leakage Currents 347
  47. Trap Induction and Breakdown Mechanism in SiO2 Films 353
  48. Electron Spin Resonance Measurements and Electrical Characteristics, before and after Electroforming, of Thin Films of Si0/Nb205 and Nb2O5 363
  49. Electron Transport in TiO 2-x at Intermediate Temperatures 300 K < T < 1500 K 375
  50. Device-related phenomena
  51. Technical Method of Determination of the Interface Trap Density 383
  52. On the Intrinsic lettering in Cu-Contaminated Cz-Si 389
  53. Barrier Height and Its Instability in Al-Ultrathin SiO2-n/p-Si Devices 403
  54. Errata
  55. X-Ray Bond-Type Diffractometer Investigations on V305 in the Temperature Interval 298 to 480 K Including the Phase Transition Temperature Tt = 428 K 415
  56. Short Notes
  57. Cobaltocene Intercalate of the Layered SnSe2 421
  58. Absolute Measurements of Lattice Spacings in Surface Layers of Crystals 425
  59. X-Ray Thermal Investigations of Cadmium Iodide Single Crystals 429
  60. Influence of Temperature of Diffusion Growth and Morphology of Nb3Sn Superconducting Layer on the Value of the Pinning Force 433
  61. The Influence of Particle Sizes on the Oxidation Kinetics of AgSn Alloys Studied by Mossbauer Spectroscopy 437
  62. Space Correlation of Microdefects with Recombination of Excess Carriers inCZ-Si 443
  63. Formation of the F.C.C. Phase in Fe-C Alloys by Rapid Quenching 447
  64. Mossbauer Spectroscopy on Amorphous FexNi 80-x B20 after Neutron Irradiation 451
  65. A New Method for Measurement of Stress in the Neighbourhood of Window Edges in Multiple Layers 455
  66. X-Ray Debye Temperature of Ytterbium 457
  67. Relative Hydrogen Content in Plasma-Enhanced CVD Silicon Nitride Films: Substrate Temperature Dependence and Effect of Thermal Annealing 459
  68. Diffusion of Boron Implanted into Silicon 465
  69. Interatomic Bond Rupture in the System of Two Coupled Anharmonic Chains with a Weak Interaction 471
  70. Properties of Sb2Te3 Single Crystals Doped with Tl Atoms 475
  71. The Investigation of a Transition Layer in Epitaxial GaAs by the Low Temperature Photoluminescence Technique 481
  72. The Nature of Acceptor Centres in Zinc and Cadmium Diphosphide 485
  73. On the Nature of Energy Levels in ZnGeP2 491
  74. Axial ΔM = ±3 and Cubic Δm = ±1 Forbidden Transitions in the EPR Spectrum of Mn 2+ in ZnS 495
  75. Photoluminescence Spectra of Si-Implanted G2As 499
  76. Electrical Conductivity of NH4H2PO4 Single Crystal 503
  77. Peierls Transition and Fluctuation Conductivity in Thin Lead-Phthalocyanine (PbPc) Films 509
  78. The Effect of Substrate on the Electrical Properties of As2S3 Films 515
  79. Photoconductivity of Te-Se-Au and Te-Se-Cd Structures 519
  80. Short-Pulsed Alloying of Contacts onGaAs 525
  81. Photoelectrochemical Solar Cells with Semiconducting Polymers Prepared by Modification of Polyvinylchloride PVC and Polytetrafluoroethylene PTFE2 529
  82. Erratum
  83. The Influence of Isoelectronic Impurities on Intrinsic Deep Levels in Liquid Phase Epitaxial Gallium Arsenide 535
  84. The Interaction between Moving Domain Walls in Rochelle Salt Crystals 537
  85. Pre-Printed Titles 539
Readers are also interested in:
https://doi.org/10.1515/9783112494646-056

Chapters in this book

  1. Frontmatter I
  2. Author Index III
  3. Contents 1
  4. Review Article
  5. The Pulsed MIS Capacitor: A Critical Review 13
  6. Original Papers
  7. Structure
  8. Neutron Diffraction by a Mosaic Crystal with Large Crystallite 45
  9. A Model of Crystallization Processes Controlled by Temperature Pulses in Amorphous Semiconductors 57
  10. Structural and Electrical Properties of the LaCo 1-x MnxO2 and LaCo 1-x FexO3 Systems 65
  11. Liquidus Curves of Eutectic Na-K and Na-Cs Systems from Semiempirical Theories of Mixtures 73
  12. Double Crystal Topography Compensating for the Strain in Processed Samples 79
  13. Determination of Sulphur Coverages on F e ( l l l ) by Means of Quantitative Auger-Electron Spectrometry 89
  14. Defects, atomistic aspects
  15. Fast-Neutron Radiation Damages in Heavily Doped p-Silicon 95
  16. Diffusion of Antimony (125Sb) in Polycrystalline Silicon 105
  17. Instability Conditions for a Spatially Homogeneous Yoid Distribution in Irradiated Metals 117
  18. H and D Diffusion in Y and Nb in the Presence of a Temperature Gradient 123
  19. Contrast Analysis of Intrinsic and Extrinsic Stacking Faults in H.C.P. Cobalt 133
  20. Conduction Electron Spin Resonance of Blue Sodalite 147
  21. Irradiation-Induced Aggregate Centers in Single Crystal A1203 155
  22. The Effect of Temperature on Dislocation Structures in Ni3Al 163
  23. The Chemical Diffusion of In in Hg 0.8 Cd 0.2 Te 173
  24. Effect of Plastic Deformation on the Density of Mg-Doped LiF Crystals 185
  25. Low-Temperature Internal Friction Peaks in Pure Zirconium Deformed at 300 K 191
  26. Ordering of Defects, Thermodynamic and Transport Properties of Solid Oxide Electrolytes with Fluorite Structure 199
  27. Magnetism
  28. The Magnetic Relaxation Spectrum of Plastically Deformed Non-Oriented Iron-Silicon Steel in the Temperature Bange 200 to 800 K 213
  29. Extended electronic states and transitions
  30. Indirect Electronic Transitions in Single Crystals of Triglycine Sulfate By 225
  31. Localized electronic states and transitions
  32. Application of the Fractional Glow Technique in the Analysis of a Complex Thermoluminescence Pattern 231
  33. Annealing-Induced Changes in the Photoluminescence of Deformed CaO Single Crystals 237
  34. EPR Studies of Dimensionality in Copper Calcium Acetate Hexahydrate 243
  35. On the Thermoluminescent Mechanism of a Calcium Fluorapatite Single Crystal Doped with Mn 2+ 249
  36. Electrical and Optical Properties of Non-Crystalline As-Se-Cd Thin Films 255
  37. Absorption Centers of Bi12GeO20 and Bi12SiO20 Crystals 263
  38. Propriétés structurales, magnétiques et électriques des oxyfluorures V 1-x MxO 2-2x F2x (M = Mg, Ni) 271
  39. Electric transport
  40. Photo-Generated Carriers in Structures with Nonlinear Band-Gap Changes 283
  41. Effect of Multiple Trapping on Photoreceptor Discharge Characteristics under the Condition of Surface Carrier Generation 293
  42. Kinetic Properties and Phase Transitions in Sb2Te3 under Hydrostatic Pressure up to 9 GPa 301
  43. Dose Effects in Transient Radiation-Induced Conductivity in Polymers 311
  44. Electrodeposited Tungsten Selenide Films II. Optical, Electrical, Electrochemical Characterization and Photoelectrochemical Solar Cell Studies 321
  45. The Effect of Pressure on Conductivity and Permittivity of As2Te3-Based Glasses 333
  46. Damage Profiles after 50 to 500 MeV Ion Implantation as Deduced from Thyristor Leakage Currents 347
  47. Trap Induction and Breakdown Mechanism in SiO2 Films 353
  48. Electron Spin Resonance Measurements and Electrical Characteristics, before and after Electroforming, of Thin Films of Si0/Nb205 and Nb2O5 363
  49. Electron Transport in TiO 2-x at Intermediate Temperatures 300 K < T < 1500 K 375
  50. Device-related phenomena
  51. Technical Method of Determination of the Interface Trap Density 383
  52. On the Intrinsic lettering in Cu-Contaminated Cz-Si 389
  53. Barrier Height and Its Instability in Al-Ultrathin SiO2-n/p-Si Devices 403
  54. Errata
  55. X-Ray Bond-Type Diffractometer Investigations on V305 in the Temperature Interval 298 to 480 K Including the Phase Transition Temperature Tt = 428 K 415
  56. Short Notes
  57. Cobaltocene Intercalate of the Layered SnSe2 421
  58. Absolute Measurements of Lattice Spacings in Surface Layers of Crystals 425
  59. X-Ray Thermal Investigations of Cadmium Iodide Single Crystals 429
  60. Influence of Temperature of Diffusion Growth and Morphology of Nb3Sn Superconducting Layer on the Value of the Pinning Force 433
  61. The Influence of Particle Sizes on the Oxidation Kinetics of AgSn Alloys Studied by Mossbauer Spectroscopy 437
  62. Space Correlation of Microdefects with Recombination of Excess Carriers inCZ-Si 443
  63. Formation of the F.C.C. Phase in Fe-C Alloys by Rapid Quenching 447
  64. Mossbauer Spectroscopy on Amorphous FexNi 80-x B20 after Neutron Irradiation 451
  65. A New Method for Measurement of Stress in the Neighbourhood of Window Edges in Multiple Layers 455
  66. X-Ray Debye Temperature of Ytterbium 457
  67. Relative Hydrogen Content in Plasma-Enhanced CVD Silicon Nitride Films: Substrate Temperature Dependence and Effect of Thermal Annealing 459
  68. Diffusion of Boron Implanted into Silicon 465
  69. Interatomic Bond Rupture in the System of Two Coupled Anharmonic Chains with a Weak Interaction 471
  70. Properties of Sb2Te3 Single Crystals Doped with Tl Atoms 475
  71. The Investigation of a Transition Layer in Epitaxial GaAs by the Low Temperature Photoluminescence Technique 481
  72. The Nature of Acceptor Centres in Zinc and Cadmium Diphosphide 485
  73. On the Nature of Energy Levels in ZnGeP2 491
  74. Axial ΔM = ±3 and Cubic Δm = ±1 Forbidden Transitions in the EPR Spectrum of Mn 2+ in ZnS 495
  75. Photoluminescence Spectra of Si-Implanted G2As 499
  76. Electrical Conductivity of NH4H2PO4 Single Crystal 503
  77. Peierls Transition and Fluctuation Conductivity in Thin Lead-Phthalocyanine (PbPc) Films 509
  78. The Effect of Substrate on the Electrical Properties of As2S3 Films 515
  79. Photoconductivity of Te-Se-Au and Te-Se-Cd Structures 519
  80. Short-Pulsed Alloying of Contacts onGaAs 525
  81. Photoelectrochemical Solar Cells with Semiconducting Polymers Prepared by Modification of Polyvinylchloride PVC and Polytetrafluoroethylene PTFE2 529
  82. Erratum
  83. The Influence of Isoelectronic Impurities on Intrinsic Deep Levels in Liquid Phase Epitaxial Gallium Arsenide 535
  84. The Interaction between Moving Domain Walls in Rochelle Salt Crystals 537
  85. Pre-Printed Titles 539
Sign up now to receive a 20% welcome discount
Institutional Access
How does access work?
Have an idea on how to improve our website?
Please write us.
© 2025 De Gruyter Brill
Downloaded on 23.9.2025 from https://www.degruyterbrill.com/document/doi/10.1515/9783112494646-056/html?srsltid=AfmBOoqjkODARek1ObNeYBF1PbKgvjGZe5B1l2PGaY-tAQ_1UgC4h0l9
Scroll to top button