Phase Transitions and TopologyPhase transitions are a very well understood subjectin statistical mechanics and a huge amount of workhas been done in the last century. Recently,however, a novel characterization of phasetransitions has been proposed [1]: the singularbehaviour of thermodynamic observables at a phasetransition is attributed to major topology changes inphase space or, equivalently, in configuration space.More precisely, the conjecture is that for a systemdefined by a continuous potential energy functionV(q) – q denotes the N-<strong>di</strong>mensional vector of thegeneralized coor<strong>di</strong>nates – a thermodynamic phasetransition occurring at T c (correspon<strong>di</strong>ng to energyV c) is the manifestation of a topological <strong>di</strong>scontinuitytaking place at the specific value V c of the potentialenergy function V (strong topological hypothesis).The most striking consequence of this hypothesis isthat the signature of a phase transition is present inthe topology of the configuration spaceindependently on the statistical measure defined onit. Through Morse theory, topological changes arerelated to the presence of stationary points of V,and, more specifically, to the <strong>di</strong>scontinuousbehaviour of invariant quantity defined on them, asthe Euler characteristic χ.However, there are many open questions. Amongthem: what are the necessary and/or sufficiencycon<strong>di</strong>tions for the topological hypothesis? What is theexact correspondence between the thermodynamicand the topological transition points? What about theorder of the phase transition?On the one hand, there is a theorem [1] assertingthat, for smooth, finite-range and confininginteraction potentials a topology change at some V θis a necessary con<strong>di</strong>tion for a phase transition totake place at the correspon<strong>di</strong>ng energy value. On theother hand, there are numerical stu<strong>di</strong>es of variousmodels for which a variety of results has beenobtained.Our main contributions to this topic can besummarised as follow.1. By studying an analytically solvable mean-fieldmodel with k-body interaction (k-trigonometricmodel [2]), that, accor<strong>di</strong>ng to the value of k,undergoes no (k=1), second-order (k=2) or firstorder(k>2) phase transition, we were able to<strong>di</strong>rectly relate the <strong>di</strong>fferent thermodynamicbehaviours to the Euler characteristic (see Figure 1),fin<strong>di</strong>ng that the <strong>di</strong>scontinuity of χ signals thepresence of the phase transition and the concavityits order.2. There is a non-trivial relation between the phasetransition critical energy (V c) and the topologicalcritical energy (V θ). By studying <strong>di</strong>fferent modelsystems (mean-field Φ 4 [3], two one-<strong>di</strong>mensionalmodels [4]), we found that the relevant topologicalpoints are the “underlying stationary points”(saddles), defined through a map V s=M(V) fromenergy level V to stationary point energy V s. If thereis a topological singularity at V θ a phase transition isFig. 1: Logarithmic Euler characteristic as afunction of potential energy V for the k-trigonometric model with k=1,2,3.also present if and only if there is a temperature T csuch that V s(T c)= V θ (weak topological hypothesis).Our fin<strong>di</strong>ngs seem to in<strong>di</strong>cate that a sufficiencycriterion for the phase transition to take placerequires the introduction of a statistical measure, asthe map M is defined through an average over thestatistical measure. Moreover, the introduced weaktopological hypothesis, based on the concept ofunderlying saddles (well known from glassysystems), appears as a possible framework to fit theresults of a variety of model systems.We hope that this approach can be of interest from atheoretical point of view, in elucidating the deepunderlying relationship between phase transitionsand topology, and from a practical reason, for theinvestigation of mesoscopic systems (e.g. proteinsand large molecules) where the number of degreesof freedom is small enough to detect the presence ofa phase transition using standard techniques.References[1] L. Casetti, M. Pettini, and E.G.D. Cohen, Phys.Rep. 337, 237 (2000); R. Franzosi and M. Pettini,Phys. Rev. Lett. 92, 060601 (2004).[2] L. Angelani, L. Casetti, M. Pettini, G. Ruocco, andF. Zamponi, Europhys. Lett. 62, 775 (2003) ; Phys.Rev. E 71, 036152 (2005).[3] A. Andronico, L. Angelani, G. Ruocco, and F.Zamponi, Phys. Rev. E 70, 041101 (2004).[4] L. Angelani, G. Ruocco, and F. Zamponi, Phys.Rev. E 72, 016122 (2005).AuthorsL. Angelani (a), G. Ruocco (b,c), F. Zamponi (b,d)(a) CRS SMC-INFM-CNR, Roma, Italy(b) CRS SOFT-INFM-CNR, Roma, Italy(c) Dip. <strong>di</strong> <strong>Fisica</strong>, Univ. <strong>di</strong> Roma La <strong>Sapienza</strong>, Roma,I(d) Ecole Normale Superieure, Paris, France.51SOFT Scientific <strong>Report</strong> 2004-06
Scientific <strong>Report</strong> – Non Equilibrium Dynamics and ComplexityHigh Frequency Dynamics in Disordered SystemsThe <strong>di</strong>scovery that <strong>di</strong>sordered materials, such asglasses and liquids, support the propagation of soundwaves in the terahertz frequency region has renewe<strong>di</strong>nterest in a long-stan<strong>di</strong>ng issue: the nature ofcollective excitations in <strong>di</strong>sordered solids. From theexperimental point of view, the collective excitationsare often stu<strong>di</strong>ed through the determination of thedynamic structure factor S(Q,ω), i.e. the timeFourier transform of the collective interme<strong>di</strong>atescatteringfunction F(Q,t) which, in turn, is the spaceFourier transform of the density self-correlationfunction. S(Q,ω) has been widely stu<strong>di</strong>ed in the pastby the Brillouin light scattering (BLS) and inelasticneutron scattering (INS) techniques. Thesetechniques left an unexplored gap in the Q-space,correspon<strong>di</strong>ng to exchanged momentum approachingthe inverse of the inter-particle separation a (themesoscopic region, Q=1–10 inverse nm). This Qregion is important, because here the collectivedynamics undergoes the transition from thehydrodynamic behaviour to the microscopic singleparticleone.Investigation of S(Q,ω)in this mesoscopic region hasbecome possible recently thanks to the developmentof the IXS technique; many systems, ranging fromglasses to liquids, have been stu<strong>di</strong>ed with thistechnique [1-8]. In ad<strong>di</strong>tion to specific quantitative<strong>di</strong>fferences among <strong>di</strong>fferent systems, all the systemsinvestigated show some qualitative common featuresthat can be summarized as follows:(i) Propagating acoustic-like excitations exist up to amaximum Q-value Q m (aQ m≈1–3 depen<strong>di</strong>ng on thesystem fragility), having an excitation frequencyΩ(Q). On increasing Q there exists a positive<strong>di</strong>spersion of the sound velocity (Fig. 2).(ii) Ω(Q) versus Q shows an almost linear <strong>di</strong>spersionrelation, and its slope, in the Q0 limit, extrapolatesto the macroscopic sound velocity.(iii) The width of the Brillouin peaks, Γ(Q), follows apower law, Γ(Q)=DQ α , with α=2 within the currentlyavailable statistical accuracy (Fig. 1).(iv) The value of D does not depend significantly ontemperature, in<strong>di</strong>cating that this broadening (i.e. theFig. 2: (A) Excitation energy Ω(Q) for vitreous silicafrom IXS (full dots) [2] and MD (open dots) [1].The upper curve is for the L-mode, the lower one isfor the T-mode.; (B) Apparent sound velocity from(A) defined as Ω(Q)/Q.sound attenuation) in the high-frequency region doesnot have a dynamic origin, but is due to the <strong>di</strong>sorder.(v) Finally, at large Q-values, a second peak appearsin S(Q,ω) at frequencies smaller than that of thelongitu<strong>di</strong>nal acoustic excitations. This peak can beascribed to the transverse acoustic dynamics, whosesignature is observed in the dynamic structure factoras a consequence of the absence of pure polarizationof the modes in a topologically <strong>di</strong>sordered system.References[1] O. Pilla et al. J. of Phys. C. M. 16, 8519 (2004).[2] B. Ruzicka, et al. PRB 69, 100201 (2004).[3] T. Scopigno, et al. PRL 92, 025503 (2004).[4] R. Angelini, et al. PRB 70, 224302 (2004).[5] T. Scopigno, et al. PRL 94, 155301 (2005).[6] E. Pontecorvo et al. PRE 71, 011501 (2005).[7] T. Scopigno et al. PRL 96, 135501 (2006)[8] C. Masciovecchio et al. preprint (2006).Fig. 1: Excitation broadening (Γ) vs. excitationenegy position (Ω) square in glassy Selenium [3].AuthorsR. Angelini (a), M. Krisch (c), C. Masciovecchio (b),G. Monaco (c), Pontecorvo (a,d), G. Ruocco (a,d), B.Ruzicka (a), E. T. Scopigno (a), F. Sette (c).(a) CRSSOFT-INFM-CNR, Roma, Italy (b) Elettra, Trieste,Italy (c) ESRF, Grenoble, France (d) Dip. Di <strong>Fisica</strong>,Univ. Di Roma, Roma, Italy.SOFT Scientific <strong>Report</strong> 2004-0652
- Page 4 and 5: Istituto Nazionale per la Fisica de
- Page 6 and 7: ContentsIntroduction 7Scientific Mi
- Page 8 and 9: IntroductionSOFT is a CRS (Centro d
- Page 10 and 11: Scientific MissionThe scientific wo
- Page 13 and 14: Missioncolloids and soft colloidal
- Page 15 and 16: PersonnelManagement, Personnel and
- Page 17 and 18: FacilitiesSOFT Scientific Report 20
- Page 19 and 20: FacilitiesX-ray Diffraction Laborat
- Page 21 and 22: FacilitiesThin Film Laboratory - Ud
- Page 23 and 24: FacilitiesBrillouin Light Scatterin
- Page 25 and 26: Facilitieslaserf 2BSf 1FOBSSoftware
- Page 27 and 28: FacilitiesStatic Light Scattering L
- Page 29 and 30: FacilitiesSpectroscopy Laboratory -
- Page 31 and 32: LSFSOFT Scientific Report 2004-0630
- Page 33 and 34: LSFFig. 1 - BRISP layoutBackground
- Page 35 and 36: LSFBRISP first spectraLeft panel: e
- Page 37 and 38: LSFNeutron guideMonochromator cryst
- Page 39 and 40: LSFAXES: Advanced X-ray Emission Sp
- Page 41 and 42: LSFID16: Inelastic X-ray Scattering
- Page 43 and 44: LSFExperiments at LSFYear 2004Elett
- Page 45 and 46: LSFYear 2005Elettra - IUVS• High
- Page 47 and 48: LSFYear 2006Elettra - IUVS• Study
- Page 49 and 50: Scientific ReportsScientific Report
- Page 51: Scientific Report - Non Equilibrium
- Page 55 and 56: Scientific Report - Non Equilibrium
- Page 57 and 58: Scientific Report - Non Equilibrium
- Page 59 and 60: Scientific Report - Non Equilibrium
- Page 61 and 62: Scientific Report - Non Equilibrium
- Page 63 and 64: Scientific Report - Non Equilibrium
- Page 65 and 66: Scientific Report - Non Equilibrium
- Page 67 and 68: Scientific Report - Non Equilibrium
- Page 69 and 70: Scientific Report - Non Equilibrium
- Page 71 and 72: Scientific Report - Non Equilibrium
- Page 73 and 74: Scientific Report - Non Equilibrium
- Page 75 and 76: Scientific Report - Non Equilibrium
- Page 77 and 78: Scientific Report - Non Equilibrium
- Page 79 and 80: Scientific Report - Non Equilibrium
- Page 81 and 82: Scientific Report - Non Equilibrium
- Page 83 and 84: Scientific Report - Non Equilibrium
- Page 85 and 86: Scientific Report - Non Equilibrium
- Page 87 and 88: Scientific Report - Self Assembly,
- Page 89 and 90: Scientific Report - Self Assembly,
- Page 91 and 92: Scientific Report - Self Assembly,
- Page 93 and 94: Scientific Report - Self Assembly,
- Page 95 and 96: Scientific Report - Self Assembly,
- Page 97 and 98: Scientific Report - Self Assembly,
- Page 99 and 100: Scientific Report - Self Assembly,
- Page 101 and 102: Scientific Report - Elastic and ine
- Page 103 and 104:
Scientific Report - Elastic and ine
- Page 105 and 106:
Scientific Report - Elastic and ine
- Page 107 and 108:
Scientific Report - Elastic and ine
- Page 109 and 110:
Projects and CollaborationsSOFT Sci
- Page 111 and 112:
Projects and CollaborationsPAIS 200
- Page 113 and 114:
Projects and CollaborationsCollabor
- Page 115 and 116:
DisseminationSOFT Scientific Report
- Page 117 and 118:
DisseminationWe also point out the
- Page 119 and 120:
DisseminationF. A. Gorelli, V. M. G
- Page 121 and 122:
DisseminationL. Angelani, G. Foffi,
- Page 123 and 124:
DisseminationC. Casieri, F. De Luca
- Page 125 and 126:
DisseminationM. Finazzi, M. Portalu
- Page 127 and 128:
DisseminationS. Magazu, F. Migliard
- Page 129 and 130:
DisseminationB. Rossi, G. Viliani,
- Page 131 and 132:
DisseminationE. Zaccarelli, C. Maye
- Page 133 and 134:
DisseminationV. Bortolotti, M. Cama
- Page 135 and 136:
DisseminationC. De Michele, A. Scal
- Page 137 and 138:
DisseminationJ. Gutierrez, F. J. Be
- Page 139 and 140:
DisseminationA. Monaco, A. I. Chuma
- Page 141 and 142:
DisseminationM. Reale, M. A. De Lut
- Page 143 and 144:
DisseminationF. Bordi, C. Cametti,
- Page 145 and 146:
DisseminationSOFT Scientific Report
- Page 147 and 148:
DisseminationXII Liquid and Amorpho
- Page 149 and 150:
DisseminationConference on "new pro
- Page 151 and 152:
DisseminationX International worksh
- Page 153 and 154:
DisseminationXAFS13, 13 th Internat
- Page 155 and 156:
DisseminationOrganization of School
- Page 157 and 158:
DisseminationSoft Annual WorkshopsE
- Page 159 and 160:
DisseminationSoft WebSiteThe Web Si
- Page 161 and 162:
DisseminationContactsINFM-CNR Resar