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References Chapter 1 1.1 W.M. Mueller, J.P. Blackledge, G.G. Libowitz (eds.): Metal Hydrides (Academic, New York 1968) 1.2 T.B. Massalski (ed.): Binary Alloy Phase Diagrams (American Society of Metals, Metals Park, OH 1986) 1.3 H. Frieske, E. Wicke: Ber. Bunsenges. Phys. Chern. 77, 48 (1973) 1.4 E. Wicke, 1. Blaurock: 1. Less-Common Met. 130,351 (1987) 1.5 R.A. Bond, D.K. Ross: 1. Phys. F 12, 597 (1982) 1.6 T. Schober, H. Wenzl: In Hydrogen in Metals II, ed. by G. Alefeld, J. Volkl, Topics Appl. Phys., Vol. 29 (Springer, Berlin, Heidelberg 1978) p. 11 1.7 H. Zabel, J. Peisl: J. Phys. F 9, 1461 (1979) 1.8 T. Kuji, W.A. Oates: 1. Less-Common Met. 102, 261 (1984) 1.9 T. Kuji, T.B. Flanagan: J. Phys. F 15, L59 (1985) 1.10 H. Wenzl, P. Mecking, M.E. De Prieto: Ann. de Chimie 7, 517 (1982) 1.11 R. Lasser, T. Schober: J. Less-Common Met. 130,453 (1987) 1.12 Y. Fukai, K. Mogi, T. Matsushita: To be published 1.13 J.J. Reilly, R.H. Wiswall: Inorg. Chern. 9, 1678 (1970) 1.14 N. Boes, H. Ziichner: Z. Naturforsch. 31A, 754 (1976) 1.15 A. Sawatzky, G.A. Ledoux: Proc. 2nd Int'l Congress Hydrogen in Metals, Paris, 1977, lC8 (Pergamon, Oxford 1977) 1.16 T. Schober, A. Carl: J. Less-Common Met. 63, P53 (1979) 1.17 E. Fromm, E. Gebhardt (eds.): Gase and Kohlenstoff in Metallen, Reine und angewandte Metallkunde in Einzeldarstellungen, 26. Band (Springer, Berlin, Heidelberg 1976) 1.18 E. Fromm, G. Horz: Intern. Metals Rev. 25, 269 (1980) 1.19 H. Wenzl: Intern. Metals Rev. 27, 140 (1982) 1.20 M.L. Lieberman, P.G. Wahlbeck: 1. Phys. Chern. 69, 3514 (1965) 1.21 E. Veleckis, R.K. Edwards: J. Phys. Chern. 73, 683 (1969) 1.22 R. Griessen, T. Riesterer: In Hydrogen in Intermetallic Compounds I, ed. by L. Schlapbach, Topics Appl. Phys., Vol. 63 (Springer, Berlin, Heidelberg 1988) p. 219 1.23 OJ. Kleppa, P. Dantzer, M.E. Melnichak: 1. Chern. Phys. 61, 4048 (1974) 1.24 P. Dantzer, OJ. Kleppa, M.E. Melnichak: J. Chern. Phys. 64,139 (1976) 1.25 G. Boureau, O.J. Kleppa and P. Dantzer: 1. Chern. Phys. 64, 5247 (1976) 1.26 G. Boureau, O.J. Kleppa: J. Chern. Phys. 65, 3915 (1976) 1.27 OJ. Kleppa, R.C. Phutela: J. Chern. Phys. 76, 1106 (1982) 1.28 J.W. Simons, T.B. Flanagan: J. Phys. Chern. 69, 3581 (1965) 1.29 N. Boes, H. Ziichner: Ber. Bunsenges. Phys. Chern. SO, 22 (1976) 1.30 R. Kirchheim, R.B. McLellan: 1. Electrochem. Soc. 127,2439 (1980) 1.31 J.D. Clewley, T. Curran, T.B. Flanagan, W.A. Oates: J. Chern. Soc. Faraday Trans. I 69, 449 (1973) 1.32 A. Sieverts, G. Zapf: Z. Phys. Chern. 174A, 359 (1935) 1.33 A. Magerl, N. Stump, H. Wipf, G. Alefeld: J. Phys. Chern. Solids 38, 683 (1977) 1.34 K. Watanabe, Y. Fukai: J. Phys. Soc. Jpn. 54, 3415 (1985)

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References

Chapter 1

1.1 W.M. Mueller, J.P. Blackledge, G.G. Libowitz (eds.): Metal Hydrides (Academic, New York 1968)

1.2 T.B. Massalski (ed.): Binary Alloy Phase Diagrams (American Society of Metals, Metals Park, OH 1986)

1.3 H. Frieske, E. Wicke: Ber. Bunsenges. Phys. Chern. 77, 48 (1973) 1.4 E. Wicke, 1. Blaurock: 1. Less-Common Met. 130,351 (1987) 1.5 R.A. Bond, D.K. Ross: 1. Phys. F 12, 597 (1982) 1.6 T. Schober, H. Wenzl: In Hydrogen in Metals II, ed. by G. Alefeld, J. Volkl, Topics Appl.

Phys., Vol. 29 (Springer, Berlin, Heidelberg 1978) p. 11 1.7 H. Zabel, J. Peisl: J. Phys. F 9, 1461 (1979) 1.8 T. Kuji, W.A. Oates: 1. Less-Common Met. 102, 261 (1984) 1.9 T. Kuji, T.B. Flanagan: J. Phys. F 15, L59 (1985)

1.10 H. Wenzl, P. Mecking, M.E. De Prieto: Ann. de Chimie 7, 517 (1982) 1.11 R. Lasser, T. Schober: J. Less-Common Met. 130,453 (1987) 1.12 Y. Fukai, K. Mogi, T. Matsushita: To be published 1.13 J.J. Reilly, R.H. Wiswall: Inorg. Chern. 9, 1678 (1970) 1.14 N. Boes, H. Ziichner: Z. Naturforsch. 31A, 754 (1976) 1.15 A. Sawatzky, G.A. Ledoux: Proc. 2nd Int'l Congress Hydrogen in Metals, Paris, 1977, lC8

(Pergamon, Oxford 1977) 1.16 T. Schober, A. Carl: J. Less-Common Met. 63, P53 (1979) 1.17 E. Fromm, E. Gebhardt (eds.): Gase and Kohlenstoff in Metallen, Reine und angewandte

Metallkunde in Einzeldarstellungen, 26. Band (Springer, Berlin, Heidelberg 1976) 1.18 E. Fromm, G. Horz: Intern. Metals Rev. 25, 269 (1980) 1.19 H. Wenzl: Intern. Metals Rev. 27, 140 (1982) 1.20 M.L. Lieberman, P.G. Wahlbeck: 1. Phys. Chern. 69, 3514 (1965) 1.21 E. Veleckis, R.K. Edwards: J. Phys. Chern. 73, 683 (1969) 1.22 R. Griessen, T. Riesterer: In Hydrogen in Intermetallic Compounds I, ed. by L. Schlapbach,

Topics Appl. Phys., Vol. 63 (Springer, Berlin, Heidelberg 1988) p. 219 1.23 OJ. Kleppa, P. Dantzer, M.E. Melnichak: 1. Chern. Phys. 61, 4048 (1974) 1.24 P. Dantzer, OJ. Kleppa, M.E. Melnichak: J. Chern. Phys. 64,139 (1976) 1.25 G. Boureau, O.J. Kleppa and P. Dantzer: 1. Chern. Phys. 64, 5247 (1976) 1.26 G. Boureau, O.J. Kleppa: J. Chern. Phys. 65, 3915 (1976) 1.27 OJ. Kleppa, R.C. Phutela: J. Chern. Phys. 76, 1106 (1982) 1.28 J.W. Simons, T.B. Flanagan: J. Phys. Chern. 69, 3581 (1965) 1.29 N. Boes, H. Ziichner: Ber. Bunsenges. Phys. Chern. SO, 22 (1976) 1.30 R. Kirchheim, R.B. McLellan: 1. Electrochem. Soc. 127,2439 (1980) 1.31 J.D. Clewley, T. Curran, T.B. Flanagan, W.A. Oates: J. Chern. Soc. Faraday Trans. I 69, 449

(1973) 1.32 A. Sieverts, G. Zapf: Z. Phys. Chern. 174A, 359 (1935) 1.33 A. Magerl, N. Stump, H. Wipf, G. Alefeld: J. Phys. Chern. Solids 38, 683 (1977) 1.34 K. Watanabe, Y. Fukai: J. Phys. Soc. Jpn. 54, 3415 (1985)

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29 (Springer, Berlin, Heidelberg 1978) p. 157 1.88 E.G. Ponyatovsky, V.E. Antonov, T.T. Belash: In Problems in Solid State Physics, ed. by A.M.

Prokhorov, A.S. Prokhorov (Mir, Moscow 1984) p. 109 1.89 Y. Fukai, H. Ishikawa, T. Goto, J. Susaki, T. Vagi, J.L. Soubeyroux, D. Fruchart: Z. Phys.

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Chapter 2

2.1 L. Schlapbach (ed.): Hydrogen in Intermetallic Compounds I, Topics App!. Phys., Vo!' 63 (Springer, Berlin, Heidelberg 1988)

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Chapter 4

4.1 D.V. Morgan (ed.): Channeling (Academic, New York 1973) 4.2 D.S. Gammell: Rev. Mod. Phys. 16, 129 (1971) 4.3 L.C. Feldman, J.W. Mayer, S.T. Picraux: Materials Analysis by Ion Channeling (Academic,

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(1985) 4.17 E. Vagi, T. Kobayashi, S. Nakamura, Y. Fukai, K. Watanabe: J. Phys. Soc. Jpn. 52, 3441

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Chapter 5

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T. Yamazaki, K. Nagamine (J.C Baltzer, Basel 1984); Hyperf. Interact. 17-19, 287 (1984) 6.11 M. Akai, H. Akai, J. Kanamori: J. Phys. Soc. Jpn. 56, 1064 (1987) 6.12 R. Podloucky, R. Zeller, P.H. Dederichs: Phys. Rev. B 22, 5777 (1980) 6.13 M. Yussouff, R. Zeller: In Recent Developments in Condensed Matter Physics, Vol. 3,ed. by J.T.

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Bennett (The Metallurgical Soc. of AIME, New York 1979) p. 40 6.26 H.J. Tao, K.M. Ho, Y.Y. Zhu: Phys. Rev. B 34, 8394 (1986) 6.27 M.J. Puska, R.M. Nieminen: Phys. Rev. B 29, 5382 (1984) 6.28 B.I. Min, H.J.F. Jansen, A.J. Freeman: Phys. Rev. B 30, 5076 (1984)

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(1972)]

List of Symbols

h Planck's constant (h:h divided by 27t) k Boltzmann constant N A Avogadro's number m electron mass M hydrogen mass I nuclear spin of hydrogen Jl.N nuclear magnetic moment of hydrogen p pressure T temperature T m melting point Tb boiling point Tc critical temperature (of spinodal, or of superconductivity) (JD Debye temperature (JE Einstein temperature Ko bulk modulus y Griineisen constant No, Np number of orthomolecules and paramolecules n number of hydrogen atoms in a specimen No number of metal atoms in a specimen N number of interstitial sites in a specimen x = nj N 0 = [H]j[M] hydrogen-to-metal-atom ratio x' = nj(n + No) hydrogen concentration in atomic = [H]j([H] + [M]) fraction r = N j N 0 number of interstitial sites per metal atom c = nj N = xjr fraction of interstitial sites filled with hydrogen atoms Ns, NL Dumber of interstitial sites in solid and liquid phases P density of hydrogen atoms per unit volume Po maximum density of hydrogen atoms per unit volume y alloy composition, AyBI-Y X, Y, Z space coordinates (for a hydrogen atom) R, Ri, Ri(t) position of a hydrogen atom, on site j, at time t si a vector connecting a hydrogen site (origin) to a nearest-

neighbor site (j) ri position of a metal atom on site j ui displacement of a metal atom on site j u 1 displacement of a metal atom nearest to a hydrogen atom

Zi a Aa/a

AL/L

p

IiQ, lim

S(Q) Scoh(Q, m), Sinc(Q, m) G(R, t)

J(p) (m)

number of atoms in the jth shell lattice parameter

List of Symbols 343

fractional change of the lattice parameter with hydrogen concentration (I/a) (da/dx) fractional length change with hydrogen concentration (I/L) (dL/dx) strain tensors with symmetry axis along the X, Y, and Z directions, respectively. Diagonal components are written as A1 and A2. isotropic strain tensor with all diagonal components equal to AO force-dipole (stress) tensors with symmetry axis along the X, Y, and Z directions, respectively. Diagonal compon­ents are written as A and B. isotropic force-dipole tensor with all diagonal compon­ents equal to A. momentum and energy transferred from the wave (X­rays or neutrons) to a specimen in the course of scatter­ing. Q is called the scattering vector Debye-Waller factor scattering amplitude of a defect and a host metal atom for X-rays coherent and incoherent scattering cross sections for neutrons elastic scattering function coherent and incoherent scattering functions Van Hove's space-time correlation function, with subscripts sand d signifying self and distinct part, res­pectively spin-lattice relaxation time spin-lattice relaxation time in the rotating frame spin-spin relaxation time correlation time (for dipolar interaction) lifetime of the nuclear level for Mossbauer effect, or perturbed angular correlation Mossbauer-Lamb factor, with contributions of lattice vibrations and strains denoted by vib and str as sub­scripts autocorrelation function of the pth spherical harmonic component of the dipolar interaction frequency spectrum of the pth spherical harmonic com­ponent of the dipolar interaction heat of dissociation of a hydrogen molecule vibrational quantum number of a hydrogen molecule rotational quantum number of a hydrogen molecule

344 List of Symbols

EV n

E} VV, HV , SV, GV

vibrational energy of a hydrogen molecule rotational energy of a hydrogen molecule volume, enthalpy, entropy, and Gibbs free energy per mole of phase v. v stands for gas (g), fluid (f), solid solution (IX), or hydride (f3)

vV , hV , sV, Jlv (v = g, f) volume, enthalpy, entropy, and chemical potential of hydrogen per molecule

vV , hV , sv, Jlv (v = IX, f3) volume, enthalpy, entropy, and chemical potential of hydrogen per atom. The volume is sometimes written as VH for the sake of clarity

vo, ho, So, Jlo (v = IX, f3) volume, enthalpy, entropy, and chemical potential of

vV = Vo + XVV

It' = ho + xhv {)V = So + XSV

flv = Jlo + XJlv SC SOC Gaoc = Ga + TS C

SC

AHsolv , ASsolv

U, W

D B

it

a metal per atom volume, enthalpy, entropy, and chemical potential of phase v per metal atom

configurational entropy of a solid solution nonconfigurational entropy of a solid solution Gibbs free energy of a solid solution excluding the config­urational entropy term configurational entropy of a solid solution per hydrogen atom nonconfigurational entropy of a solid solution per hy­drogen atom chemical potential of hydrogen in a solid solution exclud­ing the configurational entropy term enthalpy and entropy changes per hydrogen atom in forming a solid solution from the gas phase (of 0.1 MPa) as determined by calorimetric measurements enthalpy (heat) and entropy changes per hydrogen atom in forming a solid solution from the gas phase (of 0.1 MPa) as obtained from equilibrium p-x-T measure­ments AHs at infinite dilution enthalpy and entropy changes per hydrogen atom in forming a hydride from a solid solution above quantities to be obtained from equilibrium p-x-T measurements solvus enthalpy and entropy coefficients describing the concentration dependence of LJHs: AHs = LJH~ - iix + wx3. Sometimes, the term iix is written as VC, where v = rii. intrinsic (tracer) diffusion coefficient mobility tracer correlation factor

!..herm

HR = Jr.lfM Pv Pf (Ph)

Deff = pfD ·0

W Jf

lik

EF rs N(E) Llg(n A., p.*

F(q, w) U V(r)

mobility correlation factor thermodynamical factor Haven's ratio site-availability factor

List of Symbols 345

fractional population of hydrogen atoms III a free (bound) state: Pf + Ph = 1 effective diffusion coefficient mean jump time hopping rate total Hamiltonian of the metal-hydrogen system, com­prised of a sum of an electronic part (Jf.), a lattice part (Jfd, and a hydrogen part (JfH ), in an adiabatic approx­imation total Hamiltonian with a hydrogen atom on site a total wave function ofthe system, comprised ofa product of an electronic part (cP), a lattice part (p\), and a hydro­genic part (P), in an adiabatic approximation total wave function with a hydrogen on site a many-body wave function of electrons in the Fermi sur­face (FS) state wave function obtained from cPo by exciting an electr.on from state k (in FS) to k' (out of FS) Fourier component of the interaction potential causing a transition k --+ k' energy of an electron in state k Fermi energy Wigner-Seitz radius electron density of states superconducting energy gap parameters describing the electron-phonon coupling and the effective Coulomb interaction in superconductivity momentum and energy of a phonon of a wave vector q thermal-equilibrium number of phonons with a wave vector q phonon density of states adiabatic potential for a hydrogen atom pair potential between a hydrogen atom and a metal atom anharmonicity parameter for a potential (vibrational) energy eigenvalues of an interstitial hydro­gen atom (a = 0,1,2, ... ) excitation energy of an interstitial hydrogen atom (a = 1, 2, ... ) wave function of a hydrogen atom in the ath vibrational state

346 List of Symbols

J tunneling matrix element or transfer integral for a hy­drogen atom between neighboring interstitial sites; J = !edi Jo

leI renormalization factor for the electrons Ji renormalization factor for the lattice {o bare tunneling matrix element J limiting value of J at T --+ 0 r damping constant for tunnel-split states K parameter describing the strength of coupling between

a moving particle and conduction electrons K' parameter describing the quadratic coupling to the

lattice

List of Abbreviations

DOS EOS ETM HDS HIA INS LTM NMR n-, 0-, p-O site, T site PAC PES SXS TSH

density of states equation of state early transition metals Huang diffuse scattering hydrogen-induced amorphization inelastic neutron scattering late transition metals nuclear magnetic resonance normal-, ortho-, para-octahedral site, tetrahedral site perturbed angular correlation photoelectronic spectroscopy soft-X-ray spectroscopy terminal solubility of hydrogen

Subject Index

absorption/desorption for diffusion measurements 227

activation of surface 4 alloy-hydrogen system

Cu-Pd-H 232 LnC02-H 69 LnFe2-H 69-70 LnNi2-H 69 Ln2AI-H 69 Ln3AI-H 69 Ln3Ga-H 69 Ln3In-H 69 Mo-V-H 44 Mo-Zr-H 44 Nb-Au-H 57 Nb-Cr-H 171 Nb-Ir-H 57 Nb-Mo-H 44, 52, 55, 170-171 Nb-Pd-H 44 Nb-Re-H 44 Nb-Ru-H 57 Nb-Ta-H 50, 52 Nb-Ti-H 44, 49, 52, 55, 171, 269 Nb-V-H 50,52, 171,259 Ni-Cu-H 55 Ni-Fe-H 55,57 Ni-Pd-H 55 Ni-Pt-H 55 Ni-Ti-H 55 Ni-V-H 55 Ni-Cu-Fe-H 57 Pd-Ag-H 45-48 Pd-Au-H 45-47, 56 Pd-Ce-H 45-47 Pd-Co-H 45-47, 56 Pd-Cu-H 45-47 Pd-Fe-H 46, 56 Pd-Ir-H 45-47, 56 Pd-Mn-H 45-46 Pd-Nb-H 45 Pd-Ni-H 45-47 Pd-Ni-P-H 60 Pd-Os-H 56

Pd-Pb-H 45-47 Pd-Pt-H 45-47, 56 Pd-Rh-H 45-47, 56 Pd-Si-H 60, 61-62 Pd-Sn-H 45-47, 56 Pd-Ti-H 45 Pd-U-H 45, 47 Pd-V-H 45-46 Pd-Zr-H 45 Ti-Mo-H 44, 48, 171 Ti-Ni-H 63 Ti-Pd-H 66 Ti-Re-H 44, 48 Ti-V-H 44,171 V-Au-H 57 V-Co-H 44 V-Cr-H 44,48,52,56 V-Cu-H 52 V-Fe-H 44, 52, 56 V-Ir-H 57 V-Mo-H 52,56 V-Nb-H 48,52,56 V-Ru-H 57 V-Ti-H 44, 48, 52, 55, 56, 259 V-Zr-H 52,56 Zr-AI-H 69 Zr-Ni-H 58-59,63-68 Zr-Nb-Ni-H 68 Zr-Ni-B-H 68

amorphous alloys amorphization induced by hydrogenation

68-70 chemical potential 61

measurement of 61-63,65-68 p-x-T curves 58

absence of plateau 59 site-energy distribution 60-68 spinodal decomposition 63-64

anion model 305 Arrhenius plot

alternative of, (FF -plot) 34-35 diffusion coefficient 211, 214, 217, 229-232,

238, 241, 246, 250, 254, 256, 295

350 Subject Index

Arrhenius plot (continued) solubility 10, 104-109 solvus, see terminal solubility terminal solubility 33-34

atomistic state 120 theory of p-V 2H 197-201 theory of self-trapped state 186-197

band-theoretic calculation 301,305-308 density of states (DOS) 300-302 heat of hydride formation 305-308 hydrogen-metal potential 201-203

cancellation effect hydride formation 30 solid solubility 11-12

channeling 121-128 DeHe, p)1X reaction 123 H(118, IX)IXIX reaction 123 principles 121-123 site location by 124-127, 159-161, 168,

170,175-183 tilt angle 122, 128

collective motion 250 correlation time 217, 222, 226

defect strain tensor 129-130 density distribution

calculation of 192-193,205 from neutron diffraction 135-139

diffusion 207 effects of elastic interactions on 249-251 effects of stress? 298-299 high concentrations 247-256 inhomogeneous systems 256-259 near impurity atoms 259-270

diffusion coefficient 207 bec metals (values of) 229-232 chemical diffusion coefficient 209 fcc metals (values of) 229-232 Fick's diffusion coefficient, see chemical

diffusion coefficient fundamentals of 207-210 Haven's ratio 209 intrinsic diffusion coefficient 209 mobility 208 mobility correlation factor 209 nuclear magnetic resonance (NMR)

219-220 quasi-elastic neutron scattering (QNS)

225-227 site availability factor 210 thermodynamical factor 210,226,251

tracer correlation factor 209 tracer diffusion coefficient 209

diffusion measurements 214-229 experimental methods 215

diffusion mechanism adiabatic limit 286 coincidence event 286 high-temperature region - phonon-assisted

processes 283-288 a few-phonon process 283 Flynn-Stoneham formula 285 T7 formula 284

list of 212 occurrence probability 286-287 low-temperature region - zero-phonon

process 277-283 effects of conduction electrons 278-281 effects of quadratic coupling to the

lattice 281-283 theoretical considerations on 270-297

distribution coefficient 39

effective-medium theory 308-310 calculations on trapped states 204-205 embedding energy 308

electrochemical method chemical potential measurements in

amorphous alloys 61-63, 65-68 diffusion measurement 227

electronic structure atomic state 72-73 band calculation 301,305-308 charge transfer 304 density of states (DOS) 300-302

local DOS 302 partial DOS 301 total DOS 300

Fano effect 304 H-induced state 300 metallic hydrogen 313-316 molecular state 72, 74 screening charge

distribution of 304 proton/anion model 305 wave function of 273

single-impurity approach 303 elementary jump 240-247 Ellingham diagram 40-42

Fe-H, D system compression curve 100 diffusion coefficient 229, 231 H-induced volume 96-97 implanted state 174,181-182

phase diagram 113 solubility under high pressure 107

Fermi-Dirac distribution amorphous alloys 60 hydrogen-solute interaction 53

force-dipole tensor 128-129 calculation of 188-191 values of 133

Gorsky effect 228,249-251

harmonic oscillator 142 hopping rate, see jump frequency hydride 21-38

enthalpy (heat) and entropy offormation 30 electronic calculation 305-310 values of 31

Lima-de-Faria's notation 23-24 site occupancy in 22-26 structure 21-26 thermodynamics of formation 26-31

hydrogen (elemental) atomic state 72-74 equation of state 82-88 fundamental properties of H, D, T (values

of) 72 melting curve 77 metallization 78-82, 314-316

kinematical hindrance 315-316 molecular state 74-78 ortho-, para-, normal hydrogen 74-76

population of 75-76 p-T phase diagram 77 spin-polarized atomic gas 72-74 thermodynamical quantities 84-88

calculated values of V, H, G, S 88-95 vibron 77

critical behaviors of 80-81 pressure dependence of 80-81

hydrogen effects on amorphization 68-70 electronic structure 300-305 melting point of metals 39,115-116 phase stability of metals 38-40

hydrogen-hydrogen interaction in metals 13-18

blocking effect 17 (long-range) elastic interaction 13-15

coherent, incoherent strain 20 short-range repulsion 16-18

hydrogen-metal interaction potential, see potential field for hydrogen

hydrogen-solute (defect) interaction in metals 53-57

Subject Index 351

blocking 53-55 effects on site occupancy 168-184 trapping, see trapped states

INS, see neutron scattering internal friction

diffusion measurement 228 terminal solubility determination 32 trapped state 169, 268

interstitial site 21-22 bcc lattice 124 displaced-T site 159, 184 fcc lattice 124 hcp lattice 242 number and size of 22 octahedral (0) site 22 tetrahedral (T) site 22 2T configuration 261,272 4T site (configuration) 159, 189-195,

197-201 6T configuration 189

ion implantation 172 annealing of defects 173-184 formation of defects (vacancy, self-interstitial,

He bubble) 172 radiation-induced defects, see trapping

jump frequency (rate) 232, 267, 278-288, 297-298

jump length 241

Kanzaki force 129

lanthanoid-hydrogen system anomalous terminal solubility 36-38 atomic jumps 242-243 H-induced volume 96 hydride 24 nuclear magnetic resonance (NMR)

242-243 phase diagram 25,37 T-M-T pair 37,242 two-site tunneling 297-298

lattice distortion calculation of 190-191 effects of motion on 134 effects on tunneling (diffusion) 273-274,

289-290 wave function of 273 X-ray scattering 130--134

magnetic disaccommodation 228 mean jump time 208, 217, 223-226

352 Subject Index

mean residence time, see mean jump time metal-hydrogen system

Ag-H, D 7,39, 106, 110, 174, 306-307 AI-H, D 7,39,104,174,179,181,204,232,

290 Au-H 7,106,110 Ba-H 31,41 Be-H 110 Bi-H 110 Ca-H 31,41,309 Cd-H 110 Ce-H 7,24-25,31,96 Co-H 7,23-24,39,96, 112,306,309 Cr-H, D 7, 23-24, 108, 112, 142-143, 147,

174, 306, 309 Cs-H 31,41 Cu-H, D 7,39,105,110,174,177,181,204,

230-232,290,296,304-306,309 Dy-H 24-25 Er-H 24-25,31,37,96 Eu-H 24 Fe-H, D 7,23-24,39,96,99,107,112,174,

180-182,204,229,231,306,309 Gd-H 24-25, 31 Hf-H 7, 24, 31, 39 Hg-H 110 Ho-H 24-25, 37 In-H 110 Ir-H 7,110 K-H 31,41,309 La-H, D 7, 24-25, 31, 41, 96, 165, 167, 255 Li-H 7, 31, 41 Lu-H, D 18,24-25,37,96, 174, 180 Mg-H, D 7,41,174,180 Mn-H 23-24,31,39,97,112,306,309 Mo-H, D 7,23-24,108,112,142-143,147,

174, 180-181,204,306 Na-H 31,41 Nb-H, D, T 2, 7, 13, 15, 18-20, 23-24,

31-32,41-42,55,57,96,99,122,127, 133-13~ 142-145, 147-158, 168-171, 174,180,186-197,200-203,222,229, 231,239-241,243-247,248-256, 258-270,272,274,288-289,291-296, 299, 306-307

Nd-H 24-25,31 Ni-H, D 7, 15,23-24, 31, 39, 41, 57,

96-97, 104, 109, 112, 142-143, 147, 172-178,181,204-206,230-231, 303-304,306,309

Os-H 110 Pb-H 110 Pd-H, D 2,4,7, 10-13, 15, 18,23-24,

31-32,41,56,96-97,125,140--141,

147, 149, 157-158, 174-175, 181,204, 217,222,224-225,230-231,247, 269-270,301-303,306-307,310

Pr-H 24-25,31 Pt-H, D 105,110,174-175,310 Rb-H 31,41 Re-H 24, 96, 110 Rh-H 7,23-24,96,306-307 Ru-H 7, 23-24, 110, 306, 307 Sb-H 110 Sc-H, D 7, 13, 15, 24-25, 37,41, 165,

241-243,255-256,297-298,306,309 Sm-H 24-25,31 Sn-H 110 Sr-H 31,41 Ta-H, D, T 7, 13, 15,23-24,31,41-42,

55,96,123,126,132-133,135,142-145, 147,149,157-158,168,172-174,181, 186-197,204,220-222,229,231-239, 243-249,255,269-270,272,274, 291-296

Tb-H 24-25 Tc-H 23-24,96,306-307 Th-H 26 Ti-H 7, 13, 15,24,31,39,96, 112,

142-143, 147, 149, 217, 219, 222, 241, 247, 255, 306, 309

TI-H 110 Tm-H 24-25, 37, 96 U-H 7,39 V-H, D, T 3, 6, 7, 13, 15, 18, 23-24,

31,34-35,41-42, 55-56,96,99, 112, 130-131,133,135-140,142-152, 157-164,168,174,186-201,211,222, 229,231,243-251,255,258,269-270, 272,298-301,306,309

W-H, D 7, 109, 110, 174, 180-181 Y-H, D 7, 13, 15, 18,24-25, 37-38,41,96,

164-167,255-256,306-307 Yb-H 24-25 Zn-H 110 Zr-H, D 7,24,31,39,147, 149, 153-154,

181,255,304,306-307 metallic hydrogen 313-320

crystal structure 313-315 monatomic structure 314 molecular hcp structure 314

electronic structure 313-315 metallization 78-82, 314-316

kinematical hindrance 316 superconductivity 316-320

mobile (free) state 236, 244-246 Mossbauer effect 221-223

cage motion 222, 269-270

Mossbauer-Lamb factor 221 trapped state 56

muon jumps of 212, 232 muon spin rotation (I1SR) 220 self-trapping energy (calculation of)

189-191 tunneling matrix element 290

Nb-H, D system atomic jumps 241,243-247 atomistic calculations 188-197,201-203 compression curve 99 D density distribution 136 diffusion coefficient 229, 231, 248-249 Gorsky effect 250 H-induced volume 96 implanted state 174, 180 isotope-mixture effects 254-255 lattice distortion 134 nuclear magnetic resonance (NMR) 241,

258 phase diagram 2, 20 quasi-elastic neutron scattering (QNS)

243-247, 252-253 quench-recovery experiments on 239-240 solute-H binding energy 55 terminal solubility in alloys 49-52 trapped states 257-270 tunneling 272, 289, 293-297 vibrational state 144-145,147,149,151,

153-158 neutron diffraction 134-140

density distribution 135-139 scattering cross section (table) 135

neutron scattering inelastic neutron scattering (INS) 140-158

vibrational states 140-158 tunnel-split states 262-266

quasi-elastic neutron scattering (QNS), see the separate item.

Ni-H, D system calculation on defect trapping 204-205 diffusion coefficient 230-231 H-volume 96-97 implanted state 173-183 Ni-Zr amorphous alloy 58-59, 63-68 phase diagram 113 solubility under high pressure 104 solute-H binding energy 55 vibrational state 143, 147

NMR, see nuclear magnetic resonance nuclear magnetic resonance (NMR) for diffusion

Subject Index 353

measurement 215 isotope-mixture experiments 254-256 pulsed field gradient method 220,241,

254-256 relaxation time (rate) 215-219

anomalous relaxation at high temperatures 255

inhomogeneous systems 259 spectral density function 216, 218-219

Pd-H system atomic jumps 224-225 channeling 125 density of states (DOS) (electronic) 302 diffusion at high concentrations 247 diffusion coefficient 230-231 effects of alloying on 44--47 H-volume 96-97 implanted state 174 nuclear magnetic resonance (NMR) 218 Pd-Si amorphous alloy 62 phase diagram 2, 4 quasi-elastic neutron scattering (QNS) 224 solute-H interactions 56 temperature dependence of heat of solution

10-12 vibrational state 141, 147, 149, 157-158

permeation 227 perturbed angular correlation (PAC) 220-221,

237-239 phase diagram

high pressures 3,112-119 tentative diagrams 117-119

hydrogen 77,82 introduction 1-5 plateau 2

absence in amorphous alloys 58 Pit,-T diagram 111-113 p-T diagram 77,112-114 pressure-composition isotherms, see p-x-T

diagram p-x-T diagram 2, 4, 6, 58 x-T diagram 1-3,25,37,39,114-119

potential field for hydrogen aBharmonicity 148-149,203 calculated results 192-193, 199, 202-203,

205 empirical potential 187-188 experimental determination 148-152 nonempirical potential 201-203 principles and limitations 310-312

proton model 305 P-tensor, see force-dipoJe tensor

354 Subject Index

QNS, see quasi-elastic neutron scattering quasi-elastic neutron scattering (QNS)

223-227 Chudley-Elliot model 223-224 coherent scattering 225 de Genne narrowing 226 incoherent scattering 223 space-time correlation function (of van Hove)

223 spin-polarization analysis 252-253

quench-recovery method for diffusion measure­ment 228,232-240,291-292

resistivity relaxation for diffusion measurement 227

self-trapped state 185, 189-197 self-trapping energy 189-194, 198 theory of 189-197

Sieverts law 5, 12 deviation in amorphous alloys 59

site-energy distribution 60--68 site location 121, 124-128 site occupancy

determination of, see site location effects of annealing on 174 effects of impurity atoms on 168-171 effects of radiation-induced defects on

171-174 effects of stress on 159-164 hydrides 22-26 solid solution 124-128

Snoek effect 228 solid solution 5-18

configurational entropy 16-18 enthalpy (heat) and entropy of solution

8-12 concentration dependence of 13-18 effects of alloying on 43--49 temperature dependence of 10-12 values of 7, 110

Sieverts law, see the separate item. solubility 5

effects of pressure, calculated results 101-110

specific heat 10-12 statistical thermodynamics of 6-9

space-time correlation function (of van Hove) 223

specific heat solid solution 10-12, 163 trapped state 260-262, 268-269

spectral density function 216, 218-219

spinodal decomposition 18-21 amorphous alloys 63-64 critical point 19 effects of alloying on 57 (Maxwell's) equal-area construction 18-19,

27 shape dependence of 19 thermodynamics of 18-19 under high pressure (calculated results)

104-109 stress-induced state 159-164

Ta-H, D system atomic jumps 243-247 atomistic calculations 188-197 channeling 126, 168 diffusion coefficient 229, 231, 248-249 H-volume 96 perturbed angular correlation 237-239 quasi-elastic neutron scattering (QNS)

243-247 quench-recovery experiment 232-238 solute-H binding energy 55 terminal solubility in alloys 49-52 tunneling 272,289,293-297 vibrational state 144-145, 147, 149,

157-158 X-ray diffuse scattering 131-132

terminal solubility 31-38 anomaly in hcp metals 36-38 effects of alloying on 49-52

solution thermodynamics SO-52 effects of ordering on 37-38 effects of solute atoms on 52 experimental determination of 32 solvus line 31

solvus enthalpy, entropy 33 TiH2 - x

atomic jumps 241 diffusion at high concentrations 247 H-volume nuclear magnetic resonance (NMR) 217,

219,241 vibrational state 143, 147

trapped state clusters 233-240 configuration of 168-170 impurity atoms 53-55,168-171

binding energy (values of) 55 two-site tunneling 259-265, 288-290

mutual trapping 164-167 radiation-induced defects 171-184

binding energy (values of) 181,204 calculations on 204-205

statistical mechanics of 53-55 two-state model, see separate item.

tunneling 212 bare tunneling matrix element 273 damping of 263, 265, 280 effects of conduction electrons on 263-266 effects of lattice distortion on, see lattice

renormalization factor. electron-particle coupling parameter 277,

288-290 electron renormalization factor 275-277,

289-290 lattice renormalization factor 273-274,

289-290 migration by 212, 277-288, 292-296 tunneling energy 261-262,265,288-292 tunneling matrix element 271-273,290

calculated values of 272,294-297 experimental values of 288-292

tunnel splitting, see tunneling energy two-site tunneling 261-267

critical analysis 288-290 neutron scattering on 262-267,297-298

two-state model 53, 236, 243-245, 257

V-H system atomic jumps 243-247 atomistic calculations 188-201 channeling 127-128,159-161 compression curve 100 D density distribution 136-139

temperature dependence of 139 diffusion coefficients 229,231,248-249 Ellingham diagram 42 H-induced states 300 H-volume 96 implanted state 127-128, 174, 180 phase diagram 3, 6 quasi-elastic neutron scattering (QNS)

243-247 solute-H interaction energy 55,56

Subject Index 355

stress-induced state 159-164 tunneling 272 vibrational state 144-147,149-153,

157-158 vibrational states 140-158

band-mode vibration 155-158 dispersion curve 141, 144, 156 effects of pair formation on 164-169 effects of trapping on 168-169 molecules 74-76 optic-mode vibration 140-155,164-167,

169 values of 147, 151, 165, 169

potential field for 148-152, 192-193, 199, 202-203, 205

vibron 77,80-81 wave function of 153-155, 192-193, 199,

205 volume of hydrogen in metals 95-100

amorphous alloys (values) 98 empirical rule 97 intermetallic compounds (values) 98 metals (values) 96 pressure dependence of 99-100 universal compression curve in metallic environment 100

wave function distorted lattice 273 H2 molecule 74 screening electrons 273 self-trapped state 273 vibrational state 153-155, 192-193, 199,

205 calculation of 186-196,205 experimental determination of 153-155

X-ray diffraction and scattering 128-134 diffuse scattering 130-132 Huang scattering, see diffuse scattering static Debye-Waller factor 134