Basic Elements of Neutron Inelastic Scattering

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Basic Elements of Neutron Inelastic Scattering 2012 NCNR Summer School on Fundamentals of Neutron Scattering Basic Elements of Neutron Inelastic Scattering Peter M. Gehring National Institute of Standards and Technology NIST Center for Neutron Research Gaithersburg, MD USA Φs hω Outline 1. Introduction - Motivation - Types of Scattering 2. The Neutron - Production and Moderation - Wave/Particle Duality 3. Basic Elements of Neutron Scattering - The Scattering Length, b - Scattering Cross Sections - Pair Correlation Functions - Coherent and Incoherent Scattering - Neutron Scattering Methods (( )) (( )) (( )) (( )) 4. Summary of Scattering Cross Sections ω0 ≠ 0 (( )) (( )) (( )) (( )) - Elastic (Bragg versus Diffuse) (( )) (( )) (( )) (( )) - Quasielastic (Diffusion) - Inelastic (Phonons) ω (( )) (( )) (( )) (( )) Motivation Structure and Dynamics The most important property of any material is its underlying atomic / molecular structure (structure dictates function). Bi2Sr2CaCu2O8+δ In addition the motions of the constituent atoms (dynamics) are extremely important because they provide information about the interatomic potentials. An ideal method of characterization would be one that can provide detailed information about both structure and dynamics. Types of Scattering How do we “see”? Thus scattering We see something when light scatters from it. conveys information! Light is composed of electromagnetic waves. λ ~ 4000 A – 7000 A However, the details of what we see are ultimately limited by the wavelength. Types of Scattering The tracks of a compact disk act as a diffraction grating, producing a separation of the colors of white light. From this one can determine the nominal distance between tracks on a CD, which is 1.6 x 10-6 meters = 16,000 Angstroms. To characterize materials we must determine the underlying structure. We do this by using d the material as a diffraction grating. Problem: Distances between atoms in materials o are of order Angstroms à light is inadequate. λLight >> d ~ 4 A Moreover, most materials are opaque to light. Types of Scattering To “see” atomic structure, we require a probe with a wavelength λ ~ length scale of interest. X-rays EM - wave Some candidates … Electrons Charged particle Neutrons Neutral particle Types of Scattering Which one should we choose? If we wish only to determine relative atomic positions, then we should choose x-rays almost every time. 1. Relatively cheap 2. Sources are ubiquitous à easy access 3. Fluxes are extremely high à can study small samples However … Types of Scattering Nucleus X-rays are electromagnetic radiation. Thus they scatter from the atomic electrons. Electrons Consequences: Low-Z elements Elements with similar X-rays are strongly attenuated are hard to see. atomic numbers have as they pass through the walls very little contrast. of furnaces, cryostats, etc. Hydrogen Cobalt Nickel ?? (Z = 1) (Z = 27) (Z = 28) Types of Scattering What about electrons? Electrons are charged particles à they see both the atomic electrons and nuclear protons at the same time. 1. Relatively cheap 2. Sources are not uncommon à good access 3. Fluxes are extremely high à can study tiny crystals 4. Very small wavelengths à more information However … Types of Scattering Electrons have some deficiencies too ... Requires very Radiation damage Magnetic structures are hard to thin samples. is a concern. determine because electrons are deflected by the internal magnetic fields. Types of Scattering What about neutrons? Advantages Disadvantages Wavelengths easily varied Neutrons are expensive to match atomic spacings to produce à access is not as easy Zero charge à not strongly Interact weakly with matter à attenuated by furnaces, etc. often require large samples Magnetic dipole moment à Available fluxes are low can study magnetic structures compared to those for x-rays Nuclear interaction à can see low-Z elements easily like H à good for the study of biomolecules and polymers. Nuclear interaction is simple Low energies à Let’s consider à scattering is easy to model Non-destructive probe neutrons … The Neutron “If the neutron did not exist, it would need to be invented.” Bertram Brockhouse 1994 Nobel Laureate in Physics -27 mn= 1.675x10 kg The Neutron Q = 0 S = ½ h µn= -1.913 µN 1926: de Broglie Relation λ = h/p = h/mnv o o λ = 1 A λ = 9 A v = 4000 m/s v = 440 m/s E = 82 meV E = 1 meV Neutron Production Neutrons not bound to a nucleus decay via - the weak force at a rate characterized by a n à p + e + νe lifetime of ~ 888 seconds (15 minutes). A useful source of neutrons requires a nuclear process by which bound neutrons can be freed from n the nuclei of atoms and that is easily sustainable. There are two such processes, spallation and fission … Spallation Neutron Production Fission by Fission t Nuclear fission is used in power 235 236 * and research reactors. 92U143 + n →[ 92U144 ] → X +Y + 2.44n A liquid medium (D2O, or heavy water) is used to moderate the fast fission neutrons to room temperature (2 MeV à 50 meV). The fission process and moderator are confined by a large containment vessel. Neutron 2 3 (-m v /2kBT) Moderation Maxwellian Distribution Φ ~ v e Liquid Hydrogen 25 K 6 5 Heavy Water (D2O) 4 3 Hot Graphite 300 K 2 1 2000 K 0 0 5 10 15 “Fast” neutrons: v = 20,000 km/sec Neutron velocity v (km/sec) Wave - Particle de Broglie Relation λ = h/mnv Duality Fast Neutron, ~ 0.00002 nm V ~ 20,000,000 m/sec Thermal Neutron, ~ 0.2 nm V ~ 2,000 m/sec Cold Neutron, V ~ 200 m/sec ~ 2 nm Basics of Neutron Scattering Neutron scattering experiments measure the flux Φs of neutrons scattered by a sample into a detector as a function of the change in neutron wave vector (Q) and energy (hω). Q h = neutrons Φs( , ω) sec–cm2 Momentum Energy 2 2 ki kf hk = h(2π/λ) hωn = h kn /2m hQ = hki - hkf hω = hωi - hωf 2θ The expressions for the scattered neutron flux Φs involve the positions and motions of atomic nuclei or unpaired electron spins. provides information = f{r (t), r (t), S (t), S (t)} Φs Φs i j i j about all of these quantities! Neutron Scattering These “cross sections” are what we measure Cross Sections experimentally. Consider an incident neutron beam 2 with flux Φi (neutrons/sec/cm ) and We define three cross sections: wave vector ki on a non-absorbing sample. σ = Total cross section d σ = Differential cross section d kf Ω d2 Partial differential σ = dΩdEf cross section 2 Φi ki Neutron Scattering What are the physical meanings of these three cross sections? Cross Sections σ Total # of neutrons scattered per second / Φi. dσ Total # of neutrons scattered per second into dΩ / dΩ Φi. dΩ (Diffraction à structure. Signal is summed over all energies.) d2σ Total # of neutrons scattered per second into dΩ with a final energy between Ef and dEf / dΩ dEf Φi. dΩ dEf (Inelastic scattering à dynamics. Small, but contains much info.) Neutron Scattering What are the relative sizes of the cross sections? Cross Sections dσ d2σ Clearly: σ = dΩ = dΩ dEf dΩ dΩ dEf dσ d2σ Thus: σ >> >> dΩ dΩ dEf 2 dσ . d σ σ d Ω dΩ dEf d d2σ Typically, σ ~ 106 x dΩ dΩ dEf Elastic vs Inelastic Note that both of these d2σ cases are described by … Scattering dΩ dEf d Elastic (k =k ) ≠ σ i f dΩ Elastic Scattering: • Change in neutron energy = 0 sinθ = (Q/2)/k • Probes changes in momentum kf θ Q = 2ksinθ = 4πsinθ/λ only θ ki Inelastic (ki≠kf) Inelastic Scattering: • Change in neutron energy ≠ 0 • Probes changes in both kf kf Q Q momentum and energy 2θ 2θ ki ki Energy loss (hω>0) Energy gain (hω<0) Scattering From Consider the simplest case: A fixed, isolated nucleus. a Single Nucleus The scattered (final) neutron Ψ is a spherical wave: λ ∼ 2 Α ikr Ψf(r) ~ (-b/r)e QUESTIONS: 1. The scattering is elastic (ki = kf = k). Why? x 2. The scattering is isotropic. Why? The incident neutron Ψi is a plane wave: Nucleus ikx 1 fm = 10-15 m Ψi(r) ~ e (k = 2π/λ) Scattering From ANSWERS: a Single Nucleus 1. The scattering is elastic because the nucleus is fixed, so no energy can be transferred to it from the neutron (ignoring any excitations of the nucleus itself). 2. A basic result of diffraction theory states: if waves of any kind scatter from an object of a size << λ, then the scattered waves are spherically symmetric. (This is also known as s-wave scattering.) N << λ V(r) = 2πh2 b (r-r ) ( mn ) j δ j Σ j=1 ~ 10-15 m << 10-10 m The details of V(r) are unimportant – V(r) can be described by a scalar parameter b that depends Fermi Pseudopotential only the choice of nucleus and isotope! Scattering From The Neutron Scattering Length - b a Single Nucleus The parameter b is known as the X-rays neutron “scattering length” and has units of length ~ 10-12 cm. Z It is independent of neutron energy. Neutrons It is (usually) a real number; imaginary for absorption ... It corresponds to the b varies randomly with Z and isotope à “form factor” for x- allows access to atoms that are usually ray scattering. unseen by x-rays. Scattering From We can easily calculate σ for a single, fixed nucleus: a Single Nucleus . Def. σ Φi = Total number of neutrons scattered per second by the nucleus. v = Velocity of neutrons (elastic à same before and after scattering). dA v 2 Total number of neutrons scattered per second through dA. v dA |Ψf| = 2 2 2 2 2 . v dA |Ψf| = v(r dΩ)(b/r) = v b dΩ = v 4πb = σ Φi dσ Since = v | |2 = v à = 2 Try calculating Φi Ψi σ 4πb dΩ Scattering From What if many atoms are present? Many Nuclei Scattering from Scattering from one nucleus many nuclei Scattered neutron Ψf is a spherical wave: Constructive interference The incident neutron Ψi is a plane wave: Get strong scattering in some directions, but not in others.
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