Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Phase transition”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Rate-dependent phase transition of high density polyethylene

Quasi-static and dynamic tension tests are conducted on a widely used semicrystalline polymer, high density polyethylene (HDPE), to explore the strain rate effects on phase transition. HDPE exhibits considerable strain-rate hardening. In situ , high-speed x-ray diffraction demonstrates a martensitic transformation from the orthorhombic to monoclinic phase during both loading conditions. However, compared to quasi-static loading, the phase transition occurs at a lower bulk strain but higher stress under dynamic loading (strain rate 5100 s –1 ), suggesting strain-rate-accelerated phase transition dynamics. Furthermore, evolutions of lattice strain with bulk stress indicate different roles of amorphous and crystalline phases in deformation under different strain rates.

36 MATERIALS SCIENCE↗
DOE OSTI2019

An isogeometric finite element formulation for phase transitions on deforming surfaces

This paper presents a general theory and isogeometric finite element implementation for studying mass conserving phase transitions on deforming surfaces. The mathematical problem is governed by two coupled fourth-order nonlinear partial differential equations (PDEs) that live on an evolving two-dimensional manifold. For the phase transitions, the PDE is the Cahn–Hilliard equation for curved surfaces, which can be derived from surface mass balance in the framework of irreversible thermodynamics. For the surface deformation, the PDE is the (vector-valued) Kirchhoff–Love thin shell equation. Both PDEs can be efficiently discretized using C 1 -continuous interpolations without derivative degrees-of-freedom (dofs). Structured NURBS and unstructured spline spaces with pointwise C 1 -continuity are utilized for these interpolations. The resulting finite element formulation is discretized in time by the generalized-α scheme with adaptive time-stepping, and it is fully linearized within a monolithic Newton–Raphson approach. A curvilinear surface parameterization is used throughout the formulation to admit general surface shapes and deformations. The behavior of the coupled system is illustrated by several numerical examples exhibiting phase transitions on deforming spheres, tori and double-tori.

42 ENGINEERING↗
DOE OSTI2018

Scaling study of magnetic phase transition and critical behavior in Nd0.55Sr0.45Mn0.98Ga0.02O3 manganite

Highlights: • The sample of Nd{sub 0.55}Sr{sub 0.45}Mn{sub 0.98}Ga{sub 0.02}O{sub 3} was synthesized via a solid state reaction route. • The PM to FM phase transition of this sample is found to be of second-order. • The critical behaviors and scaling relation for Nd{sub 0.55}Sr{sub 0.45}Mn{sub 0.98}Ga{sub 0.02}O{sub 3} have also been investigated by modified Arrott plot and critical isotherm analysis. • The estimated critical exponents are close to the values for 3D-Ising model. - Abstract: Microscopic magnetic interactions and magnetism can be probed by studying the critical paramagnetic–ferromagnetic phase transition of magnetic materials. In this work, the critical behavior of the lightly Ga-doped manganites Nd{sub 0.55}Sr{sub 0.45}Mn{sub 0.98}Ga{sub 0.02}O{sub 3} (NSMGO) has been investigated. Scaling analysis reveals the critical exponents β = 0.308, γ = 1.197, and δ = 4.916, where their self-consistency and reliability are verified by the Widom scaling law and the scaling equation. These exponents indicate that the magnetic phase transition in NSMGO belongs to the anisotropic 3D-Ising universality class. Nevertheless, the asymptotic critical exponents β{sub eff} and γ{sub eff} are found to approach to the values of 3D-Heisenberg model, implying the existence of isotropic short-range magnetic interactions. We suggest that, although the Nd-based manganites possess a strong magnetocrystalline anisotropy, this effect can be partly averaged out in view of the present polycrystalline NSMGO. Therefore, in the asymptotic critical region, the phase transition reveals the crossover from the scaling of 3D-Ising toward 3D-Heisenberg universality class.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Anatomy of the electroweak phase transition for dark sector induced baryogenesis

We investigate the electroweak phase transition patterns for a recently proposed baryogenesis model with CP violation originated in the dark sector. The model includes a complex scalar singlet-Higgs boson portal, a U(1) l gauge lepton symmetry with a Z ' gauge boson portal and a fermionic dark matter particle. We find a novel thermal history of the scalar sector, featuring a Z 2 breaking singlet vacuum in the early Universe driven by a dark Yukawa coupling, that induces a one-step strongly first order electroweak phase transition. We explore the parameter space that generates the observed matter-antimatter asymmetry and dark matter relic abundance, while being consistent with constraints from electric dipole moment, collider searches, and dark matter direct detection bounds. The complex singlet can be produced via the Higgs portal and decays into Standard Model particles after traveling a certain distance. We explore the reach for long-lived singlet scalars at the 13 TeV Large Hadron Collider with \( \mathcal{L} \) = 139 fb - 1 and show its impact on the parameter space of the model. Setting aside currently unresolved theoretical uncertainties, we estimate the gravitational wave signatures detectable at future observatories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Structural dynamics of first-order phase transition in giant magnetocaloric La(Fe,Si) 13 : The free energy landscape

Maximizing the performance of magnetic refrigerators and thermomagnetic energy harvesters is imperative for their successful implementation and can be done by maximizing their operation frequency. One of the features delimiting the frequency and efficiency of such devices is the phase transition kinetics of their magnetocaloric/thermomagnetic active material. While previous studies have described the magnetic component governing the kinetics of the magnetovolume phase transition in La(Fe,Si) 13 giant magnetocaloric materials, a comprehensive description of its structural component has yet to be explored. In this study, in situ synchrotron X-ray diffraction is employed to describe the structural changes upon magnetic field application/removal. Long magnetic field dependent relaxation times up to a few hundred seconds are observed after the driving field is paused. The phase transition is found to be highly asymmetric upon magnetic field cycling due to the different Gibbs energy landscapes and the absence of an energy barrier upon field removal. An exponential relationship is found between the energy barriers and the relaxation times, suggesting the process is governed by a non-thermal activation over an energy barrier process. Such fundamental knowledge on first-order phase transition kinetics suggests pathways for materials optimization and smarter design of magnetic field cycling in real-life devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Pressure-induced magnetic, structural, and electronic phase transitions in LaFeO{sub 3}: A density functional theory (generalized gradient approximation) + U study

We have investigated the behavior of orthoferrite LaFeO{sub 3} at ambient conditions and under pressure using DFT (generalized gradient approximation (GGA)) + U approach. Ground state electronic (band gap) and magnetic properties are considerably improved due to the Hubbard correction. Moreover, the experimentally observed pressure-driven phase transition, namely, the simultaneous occurrence of spin crossover, isostructural volume collapse, and drastic reduction in electrical resistance (electronic phase transition) is nicely described by GGA + U calculations. In particular, despite a sharp drop in resistance, a small band gap still remains in the low spin state indicating an insulator to semiconductor phase transition, in good agreement with the experiments but in contrast to GGA, which predicts metallic behavior in low spin state. We discuss the origin of variation in electronic structure of LaFeO{sub 3} in low spin state as obtained from GGA to GGA + U methods. These results emphasize the importance of correlation effects in describing the pressure-driven phase transition in LaFeO{sub 3} and other rare-earth orthoferrites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Experimental liquid-gas phase transition signals and reaction dynamics

The experimental liquid-gas phase transition signals are examined for the quasiprojectile (QP) reconstructed from the reactions of 40 Ar + 27 Al, 48 Ti, 58 Ni at 47 MeV/nucleon, using measures of caloric curve, multiplicity derivative, moment parameters, and fluctuation of maximum fragment charge number (NVZ). The QP source is reconstructed, using moving source parametrizations on an event-by-event basis. For the determination of the temperature, a quadrupole fluctuation thermometer is used. Deuterons are chosen for the thermometer to minimize the Coulomb and secondary sequential decay effects. Here, a new event-by-event method is proposed for the thermometer to determine the temperature. All measures show a characteristic signature around the temperature T = 9.0 ± 0.4 MeV, which may suggest that the QP system goes into the liquid-gas phase transition at T c = 8.3 ± 0.4 MeV after the Coulomb correction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Effects of cluster expansion on the locations of phase transition boundary as a first step to quantify uncertainty in first principles statistical mechanics framework

Predicting phase diagrams from first principle calculations eliminates the need of tedious experimental trials and errors. Fully automating first principle phase diagram calculations without any sort of human intervention has been a long daunting task and troubling scientific communities for decades. This grand problem remains not fully resolved, largely due to the vastly high-dimensional parameter space associated with density functional theory, cluster expansion, lattice Monte Carlo, and the substantial uncertainty propagating through a set of complex simulations. As a first step to tackle this grand problem, we reported a first demonstration of how sensitive phase boundary locations can be to various cluster expansion fittings and input DFT training data. To the best knowledge of the authors, this study reported the first ever attempt to quantify uncertainty in first principles statistical mechanics framework. In addition, a semi-automated phase transition detection algorithm has been devised in this paper to deal with the associated statistical errors and uncertainties from Monte Carlo method and its predecessor DFT calculations and cluster expansions. This algorithm has been applied in a classical cluster expansion Mg-Cd binary alloy system to detect phase transitions at various locations of phase diagram using different cluster expansions to demonstrate its predictive power and quantify uncertainties. The results suggested that using Chebyshev basis function shifted the transition locations toward the dilute solid solution phase and expanded the phase stability of concentrated ordered phases to wider composition range. The addition of perturbed defect configurations into training data set lowered the order-disorder transition temperature to be away from true transition temperature, suggesting the transition nature is indeed configurational disorder dominated rather than defect assisted. Finally, we found that the weighting has negligible effect on the transition locations, except for the case of using Chebyshev basis function to fit all non-weighted configurations that can be susceptible to Monte Carlo sampling hysteresis.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Quantitative and interpretable order parameters for phase transitions from persistent homology

Here, we apply modern methods in computational topology to the task of discovering and characterizing phase transitions. As illustrations, we apply our method to four two-dimensional lattice spin models: the Ising, square ice, XY, and fully frustrated XY models. In particular, we use persistent homology, which computes the births and deaths of individual topological features as a coarse-graining scale or sublevel threshold is increased, to summarize multiscale and high-point correlations in a spin configuration. We employ vector representations of this information called persistence images to formulate and perform the statistical task of distinguishing phases. For the models we consider, a simple logistic regression on these images is sufficient to identify the phase transition. Interpretable order parameters are then read from the weights of the regression. This method suffices to identify magnetization, frustration, and vortex-antivortex structure as relevant features for phase transitions in our models. We also define “persistence” critical exponents and study how they are related to those critical exponents usually considered.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential

We simulate high-pressure hydrogen in its liquid phase close to molecular dissociation using a machine-learned interatomic potential. The model is trained with density functional theory (DFT) forces and energies, with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. We show that an accurate NequIP model, an E(3)-equivariant neural network potential, accurately reproduces the phase transition present in PBE. Moreover, the computational efficiency of this model allows for substantially longer molecular dynamics trajectories, enabling us to perform a finite-size scaling (FSS) analysis to distinguish between a crossover and a true first-order phase transition. Here, we locate the critical point of this transition, the liquid-liquid phase transition (LLPT), at 1200-1300 K and 155-160 GPa, a temperature lower than most previous estimates and close to the melting transition.

08 HYDROGEN↗
DOE OSTI2022

Impact of fragment formation on shear viscosity in the nuclear liquid-gas phase transition region

Within the improved quantum molecular dynamics (ImQMD) model we follow the evolution of nuclear matter for planar Couette flow in a periodic box. We focus on the region of liquid-gas phase transition and extract the shear viscosity coefficient from the local stress tensor, directly following the viscosity definition. Here, by switching on and off the mean field and thus inducing the phase transition, we are able to observe the impact of clumping in the phase transition region on the viscosity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Universality of phase transition dynamics: topological defects from symmetry breaking

In the course of a non-equilibrium continuous phase transition, the dynamics ceases to be adiabatic in the vicinity of the critical point as a result of the critical slowing down (the divergence of the relaxation time in the neighborhood of the critical point). This enforces a local choice of the broken symmetry and can lead to the formation of topological defects. The Kibble-Zurek mechanism (KZM) was developed to describe the associated nonequilibrium dynamics and to estimate the density of defects as a function of the quench rate through the transition. During recent years, several new experiments investigating formation of defects in phase transitions induced by a quench both in classical and quantum mechanical systems were carried out. At the same time, some established results were called into question. We review and analyze the Kibble-Zurek mechanism focusing in particular on this surge of activity, and suggest possible directions for further progress.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Investigating the impact of higher-order phase transitions in binary neutron-star mergers

In this paper we investigate quark deconfinement in neutrons stars and their mergers, focusing on the effects of higher orders for the phase transition between hadronic and quark matter. The different descriptions we use to describe matter microscopically contain varying particle degrees of freedom, including nucleons, hyperons, Delta baryons, and light and strange quarks. We use tabulated equations of state from the CompOSE database in which the quark deconfinement phase transition is described as being first order, and then smooth it out by introducing a percolation, replacing the single first-order phase transition with two transitions of second or third order. We then perform binary neutron-star merger simulations using these new equations of state, focusing on groups of binaries with the same single-star mass, radius, and tidal deformability, but different equations of state. Here, we go on to discuss differences in their evolution, and the ramifications for interpreting future gravitational wave observations and the potential to learn about dense matter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Phase transitions and baryogenesis from decays

Here, we study scenarios in which the baryon asymmetry is generated from the decay of a particle whose mass originates from the spontaneous breakdown of a symmetry. This is realized in many models, including low-scale leptogenesis and theories with classical scale invariance. Symmetry breaking in the early universe proceeds through a phase transition that gives the parent particle a time-dependent mass, which provides an additional departure from thermal equilibrium that could modify the efficiency of baryogenesis from out-of-equilibrium decays. We characterize the effects of various types of phase transitions and show that an enhancement in the baryon asymmetry from decays is possible if the phase transition is of the second order, although such models are typically fine-tuned. We also stress the role of new annihilation modes that deplete the parent particle abundance in models realizing such a phase transition, reducing the efficacy of baryogenesis. A proper treatment of baryogenesis in such models therefore requires the inclusion of the effects we study in this paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Superuniversality from disorder at two-dimensional topological phase transitions

We investigate the effects of quenched randomness on topological quantum phase transitions in strongly interacting two-dimensional systems. We focus first on transitions driven by the condensation of a subset of fractionalized quasiparticles (“anyons”) identified with “electric charge” excitations of a phase with intrinsic topological order. All other anyons have nontrivial mutual statistics with the condensed subset and hence become confined at the anyon condensation transition. Furthermore, using a combination of microscopically exact duality transformations and asymptotically exact real-space renormalization group techniques applied to these two-dimensional disordered gauge theories, we argue that the resulting critical scaling behavior is “superuniversal” across a wide range of such condensation transitions and is controlled by the same infinite-randomness fixed point as that of the 2D random transverse-field Ising model. We validate this claim using large-scale quantum Monte Carlo simulations that allow us to extract zero-temperature critical exponents and correlation functions in (2+1)D disordered interacting systems. We discuss generalizations of these results to a large class of ground-state and excited-state topological transitions in systems with intrinsic topological order as well as those where topological order is either protected or enriched by global symmetries. When the underlying topological order and the symmetry group are Abelian, our results provide prototypes for topological phase transitions between distinct many-body localized phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Intrinsic topological Weyl phase transition induced by a magnetostructural transformation in a kagome magnet

Topological phase transitions provide a unique window into the interplay between structure, magnetism, and Weyl physics in magnetic Weyl semimetals. However, realizing an intrinsic Weyl phase transition between two distinct Weyl states near room temperature remains challenging. Here, we demonstrate that a magnetostructural transition effectively induces such a transition in the kagome magnet Mn3Ga. High-resolution neutron diffraction, magnetization characterizations and first-principles calculations reveal that Mn3Ga undergoes a chiral antiferromagnetic transition below 485 K, followed by a magnetostructural transition to a monoclinic structure with highly canted antiferromagnetic order near room temperature. These cooperative changes in lattice and magnetic symmetries reorganize Weyl nodes, driving a transition from a primary type-II Weyl state to a distinct Weyl state, accompanied by dramatic variations in the anomalous Hall effect and appearance of topological Hall effect. Our findings open a new pathway for discovering novel topological Weyl states and advancing potential spintronic applications.

Yang, Tsung-Han [ORNL] (ORCID:000000030186302X)↗
DOE OSTI2019

Phase Transitions and the Thermodynamic Properties of the Potts Model with the Number of Spin States q = 4 on a Triangular Lattice

The phase transitions and the thermodynamic properties of the two-dimensional ferromagnetic Potts model with the number of spin states q = 4 on a triangular lattice are studied on the base of the Wang–Landau algorithm of the Monte Carlo method. The phase transition characters are analyzed using the method of the four-order Binder cumulants and the histogram analysis of the data. It is found that a first-order phase transition is observed in the model under study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗