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1. On the liquid demixing of water + elastin-like polypeptide mixtures: bimodal re-entrant phase behaviour

   https://doi.org/10.1039/d0cp05013j  

   Lindeboom, Tom ; Zhao, Binwu ; Jackson, George ; Hall, Carol K. ; Galindo, Amparo ( March 2021 , Physical Chemistry Chemical Physics)

   null (Ed.)

   Water + elastin-like polypeptides (ELPs) exhibit a transition temperature below which the chains transform from collapsed to expanded states, reminiscent of the cold denaturation of proteins. This conformational change coincides with liquid–liquid phase separation. A statistical-thermodynamics theory is used to model the fluid-phase behavior of ELPs in aqueous solution and to extrapolate the behavior at ambient conditions over a range of pressures. At low pressures, closed-loop liquid–liquid equilibrium phase behavior is found, which is consistent with that of other hydrogen-bonding solvent + polymer mixtures. At pressures evocative of deep-sea conditions, liquid–liquid immiscibility bounded by two lower critical solution temperatures (LCSTs) is predicted. As pressure is increased further, the system exhibits two separate regions of closed-loop of liquid–liquid equilibrium (LLE). The observation of bimodal LCSTs and two re-entrant LLE regions herald a new type of binary global phase diagram: Type XII. At high-ELP concentrations the predicted phase diagram resembles a protein pressure denaturation diagram; possible “molten-globule”-like states are observed at low concentration. 

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2. Emergent gauge field and the Lifshitz transition of spin-orbit coupled bosons in one dimension

   https://doi.org/10.1038/s41598-019-43929-6  

   Cole, William S. ; Lee, Junhyun ; Mahmud, Khan W. ; Alavirad, Yahya ; Spielman, I. B. ; Sau, Jay D. ( May 2019 , Scientific Reports)

   In the presence of strong spin-independent interactions and spin-orbit coupling, we show that the spinor Bose liquid confined to one spatial dimension undergoes an interaction- or density-tuned quantum phase transition similar to one theoretically proposed for itinerant magnetic solid-state systems. The order parameter describes broken Z₂inversion symmetry, with the ordered phase accompanied by non-vanishing momentum which is generated by fluctuations of an emergent dynamical gauge field at the phase transition. This quantum phase transition has dynamical critical exponentz ≃ 2, typical of a Lifshitz transition, but is described by a nontrivial interacting fixed point. From direct numerical simulation of the microscopic model, we extract previously unknown critical exponents for this fixed point. Our model describes a realistic situation of 1D ultracold atoms with Raman-induced spin-orbit coupling, establishing this system as a platform for studying exotic critical behavior of the Hertz-Millis type.

    

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3. Field-induced quantum critical point in the itinerant antiferromagnet Ti3Cu4

   https://doi.org/10.1038/s42005-022-00901-7  

   Moya, Jaime M. ; Hallas, Alannah M. ; Loganathan, Vaideesh ; Huang, C. -L. ; Kish, Lazar L. ; Aczel, Adam A. ; Beare, J. ; Cai, Y. ; Luke, G. M. ; Weickert, Franziska ; et al ( May 2022 , Communications Physics)

   New phases of matter emerge at the edge of magnetic instabilities, which can occur in materials with moments that are localized, itinerant or intermediate between these extremes. In local moment systems, such as heavy fermions, the magnetism can be tuned towards a zero-temperature transition at a quantum critical point (QCP) via pressure, chemical doping, and, rarely, magnetic field. By contrast, in itinerant moment systems, QCPs are more rare, and they are induced by pressure or doping; there are no known examples of field induced transitions. This means that no universal behaviour has been established across the whole itinerant-to-local moment range—a substantial gap in our knowledge of quantum criticality. Here we report an itinerant antiferromagnet, Ti₃Cu₄, that can be tuned to a QCP by a small magnetic field. We see signatures of quantum criticality and the associated non-Fermi liquid behaviour in thermodynamic and transport measurements, while band structure calculations point to an orbital-selective, spin density wave ground state, a consequence of the square net structural motif in Ti₃Cu₄. Ti₃Cu₄thus provides a platform for the comparison and generalisation of quantum critical behaviour across the whole spectrum of magnetism.

    

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4. Non-Hertz-Millis scaling of the antiferromagnetic quantum critical metal via scalable Hybrid Monte Carlo

   https://doi.org/10.1038/s41467-023-37686-4  

   Lunts, Peter ; Albergo, Michael S. ; Lindsey, Michael ( December 2023 , Nature Communications)

   A key component of the phase diagram of many iron-based superconductors and electron-doped cuprates is believed to be a quantum critical point (QCP), delineating the onset of antiferromagnetic spin-density wave order in a quasi-two-dimensional metal. The universality class of this QCP is believed to play a fundamental role in the description of the proximate non-Fermi liquid behavior and superconducting phase. A minimal model for this transition is the O(3) spin-fermion model. Despite many efforts, a definitive characterization of its universal properties is still lacking. Here, we numerically study the O(3) spin-fermion model and extract the scaling exponents and functional form of the static and zero-momentum dynamical spin susceptibility. We do this using a Hybrid Monte Carlo (HMC) algorithm with a novel auto-tuning procedure, which allows us to study unprecedentedly large systems of 80 × 80 sites. We find a strong violation of the Hertz-Millis form, contrary to all previous numerical results. Furthermore, the form that we do observe provides good evidence that the universal scaling is actually governed by the analytically tractable fixed point discovered near perfect “hot-spot’ nesting, even for a larger nesting window. Our predictions can be directly tested with neutron scattering. Additionally, the HMC method we introduce is generic and can be used to study other fermionic models of quantum criticality, where there is a strong need to simulate large systems.

    

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5. Modeling colloidal interactions that predict equilibrium and non-equilibrium states

   https://doi.org/10.1063/5.0086650  

   Ryu, Brian K. ; Fenton, Scott M. ; Nguyen, Tuan T. ; Helgeson, Matthew E. ; Zia, Roseanna N. ( June 2022 , The Journal of Chemical Physics)

   Modulating the interaction potential between colloids suspended in a fluid can trigger equilibrium phase transitions as well as the formation of non-equilibrium “arrested states,” such as gels and glasses. Faithful representation of such interactions is essential for using simulation to interrogate the microscopic details of non-equilibrium behavior and for extrapolating observations to new regions of phase space that are difficult to explore in experiments. Although the extended law of corresponding states predicts equilibrium phases for systems with short-ranged interactions, it proves inadequate for equilibrium predictions of systems with longer-ranged interactions and for predicting non-equilibrium phenomena in systems with either short- or long-ranged interactions. These shortcomings highlight the need for new approaches to represent and disambiguate interaction potentials that replicate both equilibrium and non-equilibrium phase behavior. In this work, we use experiments and simulations to study a system with long-ranged thermoresponsive colloidal interactions and explore whether a resolution to this challenge can be found in regions of the phase diagram where temporal effects influence material state. We demonstrate that the conditions for non-equilibrium arrest by colloidal gelation are sensitive to both the shape of the interaction potential and the thermal quench rate. We exploit this sensitivity to propose a kinetics-based algorithm to extract distinct arrest conditions for candidate potentials that accurately selects between potentials that differ in shape but share the same predicted equilibrium structure. The algorithm selects the candidate that best matches the non-equilibrium behavior between simulation and experiments. Because non-equilibrium behavior in simulation is encoded entirely by the interparticle potential, the results are agnostic to the particular mechanism(s) by which arrest occurs, and so we expect our method to apply to a range of arrested states, including gels and glasses. Beyond its utility in constructing models, the method reveals that each potential has a quantitatively distinct arrest line, providing insight into how the shape of longer-ranged potentials influences the conditions for colloidal gelation. 

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