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At least 91 records · Page 5

Abstract for CRADA between NETL and Praxair Surface Technologies, Inc. (AGMT-1288)

The National Energy Technology Laboratory (NETL) and Praxair Surface Technologies (Participant) will collaborate in the design and manufacturing of new high-performance thermal barrier coatings (TBCs) for hydrogen gas turbine applications. High-throughput first-principles density functional theory (DFT) calculations will be performed to accelerate novel TBCs discovery with expanded phase field, increased temperature and erosion capabilities, low thermal conductivity, and significant toughness imparted by ferroelastic toughening for the non-transformable tetragonal oxide phase. Down-selected materials will be manufactured using solid state powder processing techniques. Testing will include isothermal aging followed by Raman and x-ray diffraction (XRD) phase analysis, indentation fracture toughness measurements, erosion testing, and thermal conductivity measurements. The collaboration will facilitate the deployment of hydrogen gas turbine technologies that are a key to the decarburization of power generation in the United States.

08 HYDROGEN↗

Effective Field Theory of Random Quantum Circuits

Quantum circuits have been widely used as a platform to simulate generic quantum many-body systems. In particular, random quantum circuits provide a means to probe universal features of many-body quantum chaos and ergodicity. Some such features have already been experimentally demonstrated in noisy intermediate-scale quantum (NISQ) devices. On the theory side, properties of random quantum circuits have been studied on a case-by-case basis and for certain specific systems, and a hallmark of quantum chaos—universal Wigner–Dyson level statistics—has been derived. This work develops an effective field theory for a large class of random quantum circuits. The theory has the form of a replica sigma model and is similar to the low-energy approach to diffusion in disordered systems. The method is used to explicitly derive the universal random matrix behavior of a large family of random circuits. In particular, we rederive the Wigner–Dyson spectral statistics of the brickwork circuit model by Chan, De Luca, and Chalker [Phys. Rev. X 8, 041019 (2018)] and show within the same calculation that its various permutations and higher-dimensional generalizations preserve the universal level statistics. Finally, we use the replica sigma model framework to rederive the Weingarten calculus, which is a method of evaluating integrals of polynomials of matrix elements with respect to the Haar measure over compact groups and has many applications in the study of quantum circuits. The effective field theory derived here provides both a method to quantitatively characterize the quantum dynamics of random Floquet systems (e.g., calculating operator and entanglement spreading) and a path to understanding the general fundamental mechanism behind quantum chaos and thermalization in these systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Disorder Enhanced Thermalization in Interacting Many-Particle System

We introduce an extension of the non-equilibrium dynamical mean field theory to incorporate the effects of static random disorder in the dynamics of a many-particle system by integrating out different disorder configurations resulting in an effective time-dependent density-density interaction. We use this method to study the non-equilibrium transient dynamics of a system described by the Fermi Anderson-Hubbard model following an interaction and disorder quench. The method recovers the solution of the disorder-free case for which the system exhibits qualitatively distinct dynamical behaviors in the weak-coupling (prethermalization) and strong-coupling regimes (collapse-and-revival oscillations). However, we find that weak random disorder promotes thermalization. In the weak coupling regime, the jump in the quasiparticle weight in the prethermal regime is suppressed by random disorder while in the strong-coupling regime, random disorder reduces the amplitude of the quasiparticle weight oscillations. These results highlight the importance of disorder in the dynamics of realistic many-particle systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Theoretical Assessment of the Transition Between Electron Emission Mechanisms for Nonplanar Diodes

Theoretically and computationally describing the operation of nanodiodes requires characterizing the transitions between multiple electron emission mechanisms for nanodiodes with complicated geometries. This motivates our development of techniques to determine when simplified theories for individual mechanisms suffice compared to more complete, but more computationally expensive, models. Leveraging recent theories that define a canonical gap distance to translate planar theory to nonplanar diodes, we derive the conditions for the transitions among thermal emission, field emission, and space-charge-limited current density (SCLCD) in vacuum and with collisions for non-Cartesian coordinate systems, including spherical, cylindrical, and prolate spheroidal coordinate systems. Particle-in-cell (PIC) simulations of the current density as a function of applied voltage for a tip-to-plate geometry in vacuum agreed qualitatively with the asymptotes for thermal emission at low voltage and SCLCD at higher voltage using the canonical gap distance. As a result, this demonstrates the utility of this approach for guiding system design and suggests future extensions to save simulation time for more realistic geometries that are more computationally expensive.

Conformal mapping↗

Fluid and gyrokinetic turbulence in open field-line, helical plasmas

Two-fluid Braginskii codes have simulated open-field line turbulence for over a decade, and only recently, it has become possible to study these systems with continuum gyrokinetic codes. This work presents a first-of-its-kind comparison between fluid and (long-wavelength) gyrokinetic models in open field-lines, using the GDB and Gkeyll codes to simulate interchange turbulence in the Helimak device at the University of Texas [T. N. Bernard et al., Phys. Plasmas 26, 042301 (2019)]. Partial agreement is attained in a number of diagnostic channels when the GDB sources and sheath boundary conditions (BCs) are selected carefully, especially the heat-flux BCs that can drastically alter the temperature. The radial profile of the fluctuation levels is qualitatively similar and quantitatively comparable on the low-field side, although statistics such as moments of the probability density function and the high-frequency spectrum show greater differences. This comparison indicates areas for future improvement in both simulations, such as sheath BCs, and improvements in GDB like particle conservation and spatially varying thermal conductivity, in order to achieve better fluid-gyrokinetic agreement and increase fidelity when simulating experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Laboratory Verification of Electron-Scale Reconnection Regions Modulated by a Three-Dimensional Instability

We report that during magnetic reconnection in collisionless space plasma, the electron fluid decouples from the magnetic field within narrow current layers, and theoretical models for this process can be distinguished in terms of their predicted current layer widths. From theory, the off-diagonal stress in the electron pressure tensor is related to the thermal noncircular orbit motion of electrons around the magnetic field lines. This stress becomes significant when the width of the reconnecting current layer approaches the small characteristic length scale of the electron motion. To aid in situ spacecraft and numerical investigations of reconnection, the structure of the electron diffusion region is here investigated using the Terrestrial Reconnection Experiment. In agreement with the closely matched kinetic simulations, laboratory observations reveal the presence of electron-scale current layer widths. Although the layers are modulated by a current-driven instability, three-dimensional simulations demonstrate that it is the off-diagonal stress that is responsible for breaking the frozen-in condition of the electron fluid.

79 ASTRONOMY AND ASTROPHYSICS↗

Dynamically morphing microchannels in liquid crystal elastomer coatings containing disclinations

Liquid crystal elastomers (LCEs) hold a major promise as a versatile material platform for smart soft coatings, since their orientational order can be predesigned to program a desired dynamic profile. In this work, we introduce temperature-responsive dynamic coatings based on LCEs with arrays of singular defects-disclinations that run parallel to the surface. The disclinations form in response to antagonistic patterns of the molecular orientation at the top and bottom surfaces, imposed by the plasmonic mask photoalignment. Upon heating, an initially flat LCE coating develops linear microchannels located above each disclination. The stimulus that causes a non-flat profile of LCE coatings upon heating is the activation force induced by the gradients of molecular orientation around disclinations. To describe the formation of microchannels and their thermal response, we adopt a Frank-Oseen model of disclinations in patterned director field and propose a linear elasticity theory to connect the complex spatially-varying molecular orientation to the displacements of the LCE. The thermo-responsive surface profiles predicted by the theory and by the finite element modeling are in good agreement with the experimental data; in particular, higher gradients of molecular orientation produce a stronger modulation of the coating profile. The elastic theory and the finite element simulations allow us to estimate the material parameter that characterizes the elastomer coating’s response to the thermal activation. The disclinations containing LCEs show potential as soft dynamic coatings with a predesigned responsive surface profile.

36 MATERIALS SCIENCE↗

Zero-pairing and zero-temperature limits of finite-temperature Hartree-Fock-Bogoliubov theory

Recently, variational Hartree-Fock-Bogoliubov (HFB) mean-field equations were shown to possess a mathematically well-defined zero-pairing limit, independently of the closed- or open-shell character of the system under consideration. This limit is non-trivial for open-shell systems such that HFB theory does {\it not} reduce to the Hartree-Fock (HF) formalism in all cases. The present work extends this analysis to finite-temperature HFB (FTHFB) theory by investigating the behavior of this more general formalism in the combined zero-temperature and zero-pairing limits. The zero-pairing and zero-temperature limits of the FTHFB statistical density operator constrained to carry an arbitrary (integer) number of particles A on average is worked out analytically and realized numerically using a two-nucleon interaction. While the FTHFB density operator reduces to the projector corresponding to a pure HF Slater determinant for closed-shell nuclei, the FTHFB formalism does not reduce to the HF theory in all cases in the zero-temperature and zero-pairing limits, i.e. for open-shell nuclei. However, the fact that a nucleus can be of open-shell character in these joint limits is necessarily the result of some symmetry restrictions. Whenever it is the case, the non-trivial description obtained for open-shell systems is shown to depend on the order with which both limits are taken, i.e. the two limits do not commute for these systems. When the zero-temperature limit is performed first, the FTHFB density operator is demoted to a projector corresponding to a pure state made out of a linear combination of a finite number of Slater determinants with different (even) numbers of particles. When the zero-pairing limit is performed first, the FTHFB density operator remains a statistical mixture of a finite number of Slater determinants with both even and odd particle numbers. While the entropy (pairing density) is zero in the first (second) case, it does not vanish in the second (first) case in spite of the temperature (pairing) tending towards zero. The difference between both limits can have striking consequences for the (thermal) expectation values of observables. For instance, the particle-number variance does not vanish in either case and has limiting values that differ by a factor of two in both cases. In conclusion, while in the textbook situation associated with closed-shell nuclei Hartree-Fock-Bogoliubov (finite-temperature Hartree-Fock) theory reduces to Hartree-Fock theory in the zero-pairing (zero-temperature) limit, the present analysis demonstrates that a non trivial and unexpected limit is obtained for this formalism in open-shell systems. This result sheds a new light on certain aspects of this otherwise very well-studied many-body formalism.

20 ≤ A ≤ 38↗

Quarkonium semiclassical transport in quark-gluon plasma: factorization and quantum correction

We study quarkonium transport in the quark-gluon plasma by using the potential nonrelativistic QCD (pNRQCD) effective field theory and the framework of open quantum systems. We argue that the coupling between quarkonium and the thermal bath is weak using separation of scales, so the initial density matrix of the total system factorizes and the time evolution of the subsystem is Markovian. We derive the semiclassical Boltzmann equation for quarkonium by applying a Wigner transform to the Lindblad equation and carrying out a semiclassical expansion. We resum relevant interactions to all orders in the coupling constant at leading power of the nonrelativistic and multipole expansions. The derivation is valid for both weakly coupled and strongly coupled quark-gluon plasmas. We find reaction rates in the transport equation factorize into a quarkonium dipole transition function and a chromoelectric gluon distribution function. For the differential reaction rate, the definition of the momentum dependent chromoelectric gluon distribution function involves staple-shaped Wilson lines. For the inclusive reaction rate, the Wilson lines collapse into a straight line along the real time axis and the distribution becomes momentum independent. The relation between the two Wilson lines is analogous to the relation between the Wilson lines appearing in the gluon parton distribution function (PDF) and the gluon transverse momentum dependent parton distribution function (TMDPDF). The centrality dependence of the quarkonium nuclear modification factor measured by experiments probes the momentum independent distribution while the transverse momentum dependence and measurements of the azimuthal angular anisotropy may be able to probe the momentum dependent one. We discuss one way to indirectly constrain the quarkonium in-medium real potential by using the factorization formula and lattice calculations. The leading quantum correction to the semiclassical transport equation of quarkonium is also worked out. The study can be easily generalized to quarkonium transport in cold nuclear matter, which is relevant for quarkonium production in eA collisions in the future Electron-Ion Collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Electron cyclotron drift instability and anomalous transport: two-fluid moment theory and modeling

In the presence of a strong electric field perpendicular to the magnetic field, the electron cross-field (E × B) flow relative to the unmagnetized ions can cause the so-called electron cyclotron drift instability (ECDI) due to resonances of the ion acoustic mode and the electron cyclotron harmonics. This occurs in, for example, collisionless shock ramps in space, and in E × B discharge devices such as Hall thrusters. A prominent feature of ECDI is its capability to induce an electron flow parallel to the background >E field at a speed greatly exceeding predictions by classical collision theory. Such anomalous transport is important due to its role in particle thermalization at space shocks, and in causing plasma flows towards the walls of E × B devices, leading to unfavorable erosion and performance degradation, etc. The development of ECDI and anomalous transport is often considered requiring a fully kinetic treatment. In this work, however, we demonstrate that a reduced variant of this instability, and more importantly, the associated anomalous transport, can be treated self-consistently in a collisionless two-fluid framework without any adjustable collision parameter. By treating both electron and ion species on an equal footing, the free energy due to the inter-species velocity shear allows the growth of an anomalous electron flow parallel to the background E field. We will first present linear analyses of the instability in the two-fluid five- and ten-moment models, and compare them against the fully-kinetic theory. At low temperatures, the two-fluid models predict the fastest-growing mode in good agreement with the kinetic result. Also, by including more (> = 10) moments, secondary (and possibly higher) unstable branches can be recovered. The dependence of the instability on ion-to-electron mass ratio, plasma temperature, and background B field strength is also thoroughly explored. We then carry out direct numerical simulations of the cross-field setup using the five-moment model. The development of the instability, as well as the anomalous transport, is confirmed and in excellent agreement with theoretical predictions. The force balance properties are also studied using the five-moment simulation data. Here this work casts new insights into the nature of ECDI and the associated anomalous transport and demonstrates the potential of the two-fluid moment model in efficient modeling of E × B plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Generalized gluon distribution for quarkonium dynamics in strongly coupled N = 4 Yang-Mills theory

We study the generalized gluon distribution that governs the dynamics of quarkonium inside a non-Abelian thermal plasma characterizing its dissociation and recombination rates. This gluon distribution can be written in terms of a correlation function of two chromoelectric fields connected by an adjoint Wilson line. We formulate and calculate this object in N = 4 supersymmetric Yang-Mills theory at strong coupling using the AdS/CFT correspondence, allowing for a nonzero center-of-mass velocity v of the heavy quark pair relative to the medium. The effect of a moving medium on the dynamics of the heavy quark pair is described by the simple substitution T → γ T in agreement with previous calculations of other observables at strong coupling, where T is the temperature of the plasma in its rest frame, and γ = ( 1 − v 2 ) − 1 / 2 is the Lorentz boost factor. Such a velocity dependence can be important when the quarkonium momentum is larger than its mass. Contrary to general expectations for open quantum systems weakly coupled with large thermal environments, the contributions to the transition rates that are usually thought of as the leading ones in Markovian descriptions vanish in this strongly coupled plasma. This calls for new theoretical developments to assess the effects of strongly coupled non-Abelian plasmas on in-medium quarkonium dynamics. Finally, we compare our results with those from weakly coupled QCD, and find that the QCD result moves toward the N = 4 strongly coupled result as the coupling constant is increased within the regime of applicability of perturbation theory. This behavior makes it even more pressing to develop a non-Markovian description of quarkonium in-medium dynamics. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

An acoustic investigation of the near-surface turbulence on Mars

The Perseverance rover is carrying out an original acoustic experiment on Mars: the SuperCam microphone records the spherical acoustic waves generated by laser sparks at distances from 2 m to more than 8 m. These N-shaped acoustic waves scatter from the multiple local heterogeneities of the turbulent atmosphere. Therefore, large and random fluctuations of sound travel time and intensity develop as the waves cross the medium. The variances of the travel times and the scintillation index (normalized variance of the sound intensity) are studied within the mathematical formalism of the propagation of spherical acoustic waves through thermal turbulence to infer statistical properties of the Mars atmospheric temperature fluctuation field. The comparison with the theory is made by simplifying assumptions that do not include wind fluctuations and diffraction effects. Two Earth years (about one Martian year) of observations acquired during the maximum convective period (10:00–14:00 Mars local time) show a good agreement between the dataset and the formalism: the travel time variance diverges from the linear Chernov solution exactly where the density of occurrence of the first caustic reaches its maximum. Moreover, on average, waves travel faster than the mean speed of sound due to a fast path effect, which is also observed on Earth. To account for the distribution of turbulent eddies, several power spectra are tested and the best match to observation is obtained with a generalized von Karman spectrum with a shallower slope than the Kolmogorov cascade, φ(k)∝(1 + k 2 L 2 ) -4/3 . It is associated with an outer scale of turbulence, L, of 11 cm at 2 m above the surface and a standard deviation of 6 K over 9 s for the temperature. These near-surface atmospheric properties are consistent with a weak to moderate wave scattering regime around noon with little saturation. Overall, this study presents an innovative and promising methodology to probe the near-surface atmospheric turbulence on Mars.

79 ASTRONOMY AND ASTROPHYSICS↗

Suppression of Collisionless Magnetic Reconnection in the High Ion β, Strong Guide Field Limit

Abstract In magnetic reconnection, the ion bulk outflow speed and ion heating have been shown to be set by the available reconnecting magnetic energy, i.e., the energy stored in the reconnecting magnetic field ( B r ). However, recent simulations, observations, and theoretical works have shown that the released magnetic energy is inhibited by upstream ion plasma beta β i —the relative ion thermal pressure normalized to magnetic pressure based on the reconnecting field—for antiparallel magnetic field configurations. Using kinetic theory and hybrid particle-in-cell simulations, we investigate the effects of β i on guide field reconnection. While previous works have suggested that guide field reconnection is uninfluenced by β i , we demonstrate that the reconnection process is modified and the outflow is reduced for sufficiently large β i > ( B r 2 + B g 2 ) / B r 2 . We develop a theoretical framework that shows that this reduction is consistent with an enhanced exhaust pressure gradient, which reduces the outflow speed as v out ∝ 1 / β i . These results apply to systems in which guide field reconnection is embedded in hot plasmas, such as reconnection at the boundary of eddies in fully developed turbulence like the solar wind or the magnetosheath as well as downstream of shocks such as the heliosheath or the mergers of galaxy clusters.

Giai, Carlos A.↗

Development, Monitoring, and Control of Fracture Thermal Energy Storage in Crystalline Rock Formations (DEMO-FTES) [Abstract]

Approximately half of global energy consumption is used for heating and cooling. Because fossil fuels are used to meet most of this demand, heating and cooling of buildings produces a large portion of global greenhouse gas (GHG) emissions. The proposed project seeks to demonstrate the feasibility of a seasonal thermal energy storage concept called fracture thermal energy storage (FTES), which has the potential to dramatically lower energy requirements for heating and cooling and improve the resilience of building energy systems. FTES is a technique for building a highly efficient heat exchanger by creating a carefully designed set of fractures in the ground below a building. This heat exchanger allows thermal energy to be stored over seasonal timeframes—for example, hot thermal energy that is easily captured in the summer or energy from waste heat sources—to meet heating needs during colder months. FTES offers a solution with a relatively small footprint and lower cost compared to currently operating aquifer thermal energy storage (ATES) systems and could be used in the many areas without aquifers suitable for ATES. If commercialized, FTES systems could exceed the 2.5 TWh of energy storage per year from the more than 2,800 ATES systems in operation worldwide, which range from 0.1 MW to 30 MW. The savings in CO2 emissions per year are also expected to match or exceed individual ATES projects, with the largest, a 30 MW system used to provide heating and cooling to the University of Technology in Eindhoven in the Netherlands, estimated to save 13,000 tons of CO2 emissions per year. FTES utilizes mature drilling and fracturing technology and therefore has the potential to be rapidly commercialized once demonstrated. The ability to construct and establish flow through an FTES heat exchanger has been demonstrated by a previous project and the potential for efficient, large-capacity energy storage has been shown using numerical models. However, no experimental validation of these numerical estimates of thermal energy storage has been made. The first crucial need to advance FTES technology is to identify the sensitivity of key metrics such as thermal energy storage and production rates, capacities, and efficiencies to design parameters such as the number of fractures, depth/temperature of fractures, size of fractures, and circulation rates. The second crucial need is experimental testing of achievable thermal performance with optimized system design parameters. The proposed scope of work seeks to systematically address these two critical needs through a highly complementary international collaboration spanning theory, laboratory, and mesoscale field evaluation. The proposed work plan calls for using dimensional analysis and existing state-of-the-art numerical simulators to design carefully scaled laboratory and 10-meter-scale field tests of the thermal efficiency of FTES. The existing advanced laboratory and intermediate-scale field testbeds that will be used for this project will allow for detailed monitoring of the system performance during the test and of how the performance changes across time and length scales. These results will determine the feasibility of full- scale FTES systems. If the thermal performance is consistent with model predictions, the results will provide a strong economic justification for rapid commercialization of FTES technology in a wide range of geographical areas.

25 ENERGY STORAGE↗

Recent progress on in-medium properties of heavy mesons from finite-temperature EFTs

Mesons with heavy flavor content are an exceptional probe of the hot QCD medium produced in heavy-ion collisions. In the past few years, significant progress has been made toward describing the modification of the properties of heavy mesons in the hadronic phase at finite temperature. Ground-state and excited-state thermal spectral properties can be computed within a self-consistent many-body approach that employs appropriate hadron-hadron effective interactions, providing a unique opportunity to confront hadronic Effective Field Theory predictions with recent and forthcoming lattice QCD simulations and experimental data. In this article, we revisit the application of the imaginary-time formalism to extend the calculation of unitarized scattering amplitudes from the vacuum to finite temperature. These methods allow us to obtain the ground-state thermal spectral functions. The thermal properties of the excited states that are dynamically generated within the molecular picture are also directly accessible. We present here the results of this approach for the open-charm and open-bottom sectors. We also analyze how the heavy-flavor transport properties, which are strongly correlated to experimental observables in heavy-ion collisions, are modified in hot matter. In particular, transport coefficients can be computed using an off-shell kinetic theory that is fully consistent with the effective theory describing the scattering processes. The results of this procedure for both charm and bottom transport coefficients are briefly discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Thermal energy of a charm-meson molecule in a pion gas

The thermal corrections to the propagator of a loosely bound charm-meson molecule in a pion gas are calculated to next-to-leading order in the heavy-meson expansion using a zero-range effective field theory. Ultraviolet divergences in the charm-meson-pair self energy are canceled by corrections to the charm-meson-pair contact vertex. Terms that are singular at the charm-meson-pair threshold can be absorbed into thermal corrections to the rest energies and kinetic masses of the charm-meson constituents. The remaining terms reduce to a thermal correction to the binding momentum that is proportional to the pion number density and suppressed by the pion/charm-meson mass ratio. The correction gives a tiny decrease in the binding energy of the charm-meson molecule relative to the charm-meson-pair threshold in the pion gas and a change in its thermal width that is small compared to the thermal widths of the charm-meson constituents. These results are encouraging for the prospects of observing X(3872) and $T$$^{+}_{cc}$ (3875) in the expanding hadron gas produced by heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Mapping the self-generated magnetic fields due to thermal Weibel instability

The origin of the seed magnetic field that is amplified by the galactic dynamo is an open question in plasma astrophysics. Aside from primordial sources and the Biermann battery mechanism, plasma instabilities have also been proposed as a possible source of seed magnetic fields. Among them, thermal Weibel instability driven by temperature anisotropy has attracted broad interests due to its ubiquity in both laboratory and astrophysical plasmas. However, this instability has been challenging to measure in a stationary terrestrial plasma because of the difficulty in preparing such a velocity distribution. Here, we use picosecond laser ionization of hydrogen gas to initialize such an electron distribution function. We record the 2D evolution of the magnetic field associated with the Weibel instability by imaging the deflections of a relativistic electron beam with a picosecond temporal duration and show that the measured k -resolved growth rates of the instability validate kinetic theory. Concurrently, self-organization of microscopic plasma currents is observed to amplify the current modulation magnitude that converts up to ~1% of the plasma thermal energy into magnetic energy, thus supporting the notion that the magnetic field induced by the Weibel instability may be able to provide a seed for the galactic dynamo.

42 ENGINEERING↗

Investigating microstructure evolution in block copolymer membranes

Block copolymer self-assembly in conjunction with nonsolvent-induced phase separation (SNIPS) has been increasingly leveraged to fabricate integral-asymmetric membranes. The large number of formulation and processing parameters associated with SNIPS, however, has prevented the reliable construction of high performance membranes. In this study, we apply dynamical self-consistent field theory to model the SNIPS process and investigate the effect of various parameters on the membrane morphology: solvent selectivity, nonsolvent selectivity, initial film composition, and glass transition composition. We examine how solvent selectivity and concentration of polymers in the film impact the structure of micelles that connect to form the membrane matrix. In particular, we find that preserving the order in the surface layer and forming a connection between the supporting and surface layer are nontrivial and sensitive to each parameter studied. Furthermore, the effect of each parameter is discussed, and suggestions are made for successfully fabricating viable block copolymer membranes.

36 MATERIALS SCIENCE↗