Multiple Particle Species Research Articles

Symmetry-Guided Inverse Design of Self-Assembling Multiscale DNA Origami Tilings.

Recent advances enable the creation of nanoscale building blocks with complex geometries and interaction specificities for self-assembly. This nearly boundless design space necessitates design principles for defining the mutual interactions between multiple particle species to target a user-specified complex structure or pattern. In this article, we develop a symmetry-based method to generate the interaction matrices that specify the assembly of two-dimensional tilings, which we illustrate using equilateral triangles. By exploiting the allowed 2D symmetries, we develop an algorithmic approach by which any periodic 2D tiling can be generated from an arbitrarily large number of subunit species, notably addressing an unmet challenge of engineering 2D crystals with periodicities that can be arbitrarily larger than the subunit size. To demonstrate the utility of our design approach, we encode specific interactions between triangular subunits synthesized by DNA origami and show that we can guide their self-assembly into tilings with a wide variety of symmetries, using up to 12 unique species of triangles. By conjugating specific triangles with gold nanoparticles, we fabricate gold-nanoparticle supracrystals whose lattice parameter spans up to 300 nm. Finally, to generate economical design rules, we compare the design economy of various tilings. In particular, we show that (1) higher symmetries allow assembly of larger unit cells with fewer subunits and (2) linear supracrystals can be designed more economically using linear primitive unit cells. This work provides a simple algorithmic approach to designing periodic assemblies, aiding in the multiscale assembly of supracrystals of nanostructured "meta-atoms" with engineered plasmonic functions.

3D Printing of Composite Radiation Shielding for Broad Spectrum Protection of Electronic Systems.

The miniaturization of satellite systems has compounded the need to protect microelectronic components from damaging radiation. Current approaches to mitigate this damage, such as indiscriminate mass shielding, built-in redundancies, and radiation-hardened electronics, introduce high size, weight, power, and cost penalties that impact the overall performance of the satellite or launch opportunities. Additive manufacturing provides an appealing strategy to deposit radiation shielding only on susceptible components within an electronic assembly. Here, a versatile material platform and process to conformally print customized composite inks at room temperature directly and selectively onto commercial-off-the-shelf electronics is described. The suite of inks uses a flexible styrene-isoprene-styrene block copolymer binder that can be filled with particles of different atomic densities for diverging radiation shielding capabilities. Additionally, the system enables the combination of multiple distinct particle species within the same printed structure. The method can produce graded shielding that offers improved radiation attenuation by tailoring both shield geometry and composition to provide comprehensive protection from a broad range of radiation species. The authors anticipate this alternative to traditional shielding methods will enable the rapid proliferation of the next generation of compact satellite designs.

Quantum computation of stopping power for inertial fusion target design

Stopping power is the rate at which a material absorbs the kinetic energy of a charged particle passing through it-one of many properties needed over a wide range of thermodynamic conditions in modeling inertial fusion implosions. First-principles stopping calculations are classically challenging because they involve the dynamics of large electronic systems far from equilibrium, with accuracies that are particularly difficult to constrain and assess in the warm-dense conditions preceding ignition. Here, we describe a protocol for using a fault-tolerant quantum computer to calculate stopping power from a first-quantized representation of the electrons and projectile. Our approach builds upon the electronic structure block encodings of Su et al. [PRX Quant. 2, 040332 (2021)], adapting and optimizing those algorithms to estimate observables of interest from the non-Born-Oppenheimer dynamics of multiple particle species at finite temperature. We also work out the constant factors associated with an implementation of a high-order Trotter approach to simulating a grid representation of these systems. Ultimately, we report logical qubit requirements and leading-order Toffoli costs for computing the stopping power of various projectile/target combinations relevant to interpreting and designing inertial fusion experiments. We estimate that scientifically interesting and classically intractable stopping power calculations can be quantum simulated with roughly the same number of logical qubits and about one hundred times more Toffoli gates than is required for state-of-the-art quantum simulations of industrially relevant molecules such as FeMoco or P450.

Multi-species kinetic-fluid coupling for high-energy density simulations

Many physics problems are subject to a mix of continuum and non-equilibrium flows or conditions where one transition into the other, as a function of time and/or space. Numerically, such flows could be described with a purely kinetic method which, in the limit of small particle mean free paths, reproduces a continuum regime. However, from a computational perspective, such approaches are usually very expensive or simply not feasible, even on modern computational architectures. A solution is the construction of hybrid methods which connect the kinetic and hydrodynamic system of evolution equations. Such coupling usually requires specific boundary conditions between non-equilibrium and continuum regimes which come with their own numerical challenges and can introduce unphysical effects. Here, we present a hybrid model which uses a buffer region to transition from a kinetic into a fluid description following the original work of Degond et al. [1]. In the buffer region, both, the kinetic and hydrodynamic equations are solved simultaneously while being coupled via a so-called transition function. The latter also ensures a smooth conversion from the coupled model to either the kinetic or continuum approach at the interfaces of the buffer region. With that, the method avoids the need to find direct interface boundary conditions and allows one to localize the use of a high dimensional kinetic model only where it is needed. In our work, we extend the original method of Degond to flows with multiple particle species in 3D. We derive the coupled equations for the multispecies Vlasov-Bhatnagar-Gross-Krook (VBGK) model and its limiting Euler or Navier-Stokes hydrodynamic equations. To validate our model numerically, we simulate a Sod shock problem and study the effect of kinetic multi-species mixing in the preheat phase of a high energy-density plasma physics experiment.

Differentiating multi-MeV, multi-ion spectra with CR-39 solid-state nuclear track detectors

The development of high intensity petawatt lasers has created new possibilities for ion acceleration and nuclear fusion using solid targets. In such laser-matter interaction, multiple ion species are accelerated with broad spectra up to hundreds of MeV. To measure ion yields and for species identification, CR-39 solid-state nuclear track detectors are frequently used. However, these detectors are limited in their applicability for multi-ion spectra differentiation as standard image recognition algorithms can lead to a misinterpretation of data, there is no unique relation between track diameter and particle energy, and there are overlapping pit diameter relationships for multiple particle species. In this report, we address these issues by first developing an algorithm to overcome user bias during image processing. Second, we use calibration of the detector response for protons, carbon and helium ions (alpha particles) from 0.1 to above 10 MeV and measurements of statistical energy loss fluctuations in a forward-fitting procedure utilizing multiple, differently filtered CR-39, altogether enabling high-sensitivity, multi-species particle spectroscopy. To validate this capability, we show that inferred CR-39 spectra match Thomson parabola ion spectrometer data from the same experiment. Filtered CR-39 spectrometers were used to detect, within a background of ~ 2 × 1011 sr−1 J−1 protons and carbons, (1.3 ± 0.7) × 108 sr−1 J−1 alpha particles from laser-driven proton-boron fusion reactions.

Axisymmetric column collapses of bi-frictional granular mixtures

The behaviour of granular column collapses is associated with the dynamics of geohazards, such as debris flows, landslides and pyroclastic flows, yet their underlying physics is still not well understood. In this paper, we explore granular column collapses using the sphero-polyhedral discrete element method, where the system contains two types of particles with different frictional properties. We impose three different mixing ratios and multiple different particle frictional coefficients, which lead to different run-out distances and deposition heights. Based on our previous work and a simple mixture theory, we propose a new effective initial aspect ratio for the bi-frictional granular mixture, which helps unify the description of the relative run-out distances. We analyse the kinematics of bi-frictional granular column collapses and find that deviations from classical power-law scaling in both the dimensionless terminal time and the dimensionless time when the system reaches the maximum kinetic energy may result from differences in the initial solid fraction and initial structures. To clarify the influence of initial states, we further decrease the initial solid fraction of granular column collapses, and propose a trial function to quantitatively describe its influence. Due to the utilization of a simple mixture theory of contact occurrence probability, this study can be associated with the friction-dependent rheology of granular systems and friction-induced granular segregations, and further generalized to applications with multiple species of particles in various natural and engineering mixtures.

The Boltzmann equation and equilibrium thermodynamics in Lorentz-violating theories

In this work, we adapt the foundations of relativistic kinetic theory and the Boltzmann equation to particles with Lorentz-violating dispersion relations. The latter are taken to be those associated to two commonly considered sets of coefficients in the minimal Standard-Model Extension. We treat both the cases of classical (Maxwell–Boltzmann) and quantum (Fermi–Dirac and Bose–Einstein) statistics. It is shown that with the appropriate definition of the entropy current, Boltzmann’s H-theorem continues to hold. We derive the equilibrium solutions and then identify the Lorentz-violating effects for various thermodynamic variables, as well as for Bose–Einstein condensation. Finally, a scenario with nonelastic collisions between multiple species of particles corresponding to chemical or nuclear reactions is considered.

Filtration with Multiple Species of Particles

Membrane filtration of feed containing multiple species of particles is a common process in the industrial setting. In this work, we propose a model for filtration of a suspension containing multiple particle species (concrete examples of our model are shown in two and three species), each with different affinities for the material of the porous filter membrane. Using the pore shape within the membrane as a design objective, we formulate a number of optimization problems pertaining to effective separation of desired and undesired particles in the special case of two-particle species and we present results showing how properties such as feed composition affect the optimal filter design. In addition, we propose a novel multi-stage filtration strategy, which provides a significant mass yield improvement for the desired particles, and, surprisingly, higher purity of the product as well.

Spin-conserving Boltzmann theory for carriers and excitons in organic semiconductors

The rise of organic electronics calls for versatile modeling tools. In this context, we develop a semiclassical Boltzmann theory that describes transport and excitonic processes in crystalline organic semiconductors on equal footing. The generation of singlet and triplet excitons out of the ground state, their formation from free electrons and holes, the reverse processes, as well as the fusion and fission of excitons are included. The corresponding scattering integrals respect spin conservation, which requires matrix-valued distribution functions. They also include fermionic and bosonic many-particle effects such as Pauli blocking. We employ a multipole expansion of the distribution functions, where quadrupolar terms turn out to be essential for the triplet excitons. This work provides a basis for the modeling of organic solar cells, in which excitonic processes are crucial for the performance. Moreover, the theory is of general interest for transport and transitions of multiple (quasi-) particle species carrying spin in nonequilibrium systems.

Existence and uniqueness of solution of the differential equation describing the TASEP-LK coupled transport process

We study the existence and uniqueness of solution of a evolutionary partial differential equation originating from the continuum limit of a coupled process of totally asymmetric simple exclusion process (TASEP) and Langmuir kinetics (LK). In the fields of physics and biology, the TASEP-LK coupled process has been extensively studied by Monte Carlo simulations, numerical computations, and detailed experiments. However, no rigorous mathematical analysis so far has been given for the corresponding differential equations, especially the existence and uniqueness of their solutions. In this paper, we prove the existence of the C∞[0,1] steady-state solution by the method of upper and lower solution, and the uniqueness in both W1,2(0,1) and L∞(0,1) by a generalized maximum principle. We further prove the global existence and uniqueness of the time-dependent solution in C([0,1]×[0,+∞))∩C2,1([0,1]×(0,+∞)), which, for any continuous initial value, converges to the steady-state solution in C[0,1] (global attractivity). Our results support the numerical calculations and Monte Carlo simulations, and provide theoretical foundations for the TASEP-LK coupled process, especially the most important phase diagram of particle density along the travel track under different model parameters, which is difficult because the boundary layers (at one or both boundaries) and domain wall (separating high and low particle densities) may appear as the length of the travel track tends to infinity. The methods used in this paper may be instructive for studies of the more general cases of the TASEP-LK process, such as the one with multiple travel tracks and/or multiple particle species.

Energy Exchange Between Electromagnetic Ion Cyclotron (EMIC) Waves and Thermal Plasma: From Theory to Observations

The cold plasmaspheric plasma, the ring current and the radiation belts constitute three important populations of the inner magnetosphere. The overlap region between these populations gives rise to wave-particle interactions between different plasma species and wave modes observed in the magnetosphere, in particular, electromagnetic ion cyclotron (EMIC) waves. These waves can resonantly interact with multiple particle species, being an important loss process for both ring current ions and radiation belt electrons, as well as a cold plasma heating mechanism. This mini-review will focus on the interaction between EMIC waves and cold and thermal plasma, specifically the role of EMIC waves in cold and thermal electron and ion heating. It will discuss early theoretical results in conjunction with numerical modelling and recent satellite observations, and address outstanding problems and controversies in this field.

Streaming instability of multiple particle species

The streaming instability provides an efficient way of overcoming the growth barriers in the initial stages of the planet formation process. Considering the realistic case of a particle size distribution, the dynamics of the system is altered compared to the outcome of single size models. In order to understand the outcome of the multispecies streaming instability in detail, we perform a large parameter study in terms of particle number, particle size distribution, particle size range, initial metallicity, and initial particle scale height. We study vertically stratified systems and determine the metallicity threshold for filament formation. We compare these with a system where the initial particle distribution is unstratified and find that its evolution follows that of its stratified counterpart. We find that a change in the particle number does not result in significant variation in the efficiency and timing of filament formation. We also see that there is no clear trend for how varying the size distribution in combination with the particle size range changes the outcome of the multispecies streaming instability. Finally, we find that an initial metallicity of Zinit = 0.005 and Zinit = 0.01 both result in similar critical metallicity values for the start of filament formation. Our results show that the inclusion of a particle size distribution into streaming instability simulations, while changing the dynamics as compared to mono-disperse systems, does not result in overall unfavorable conditions for solid growth. We attribute the subdominant role of multiple species to the high-density conditions in the midplane, conditions under which linear stability analysis also predict little difference between single and multiple species.

Associations between lipids in selected brain regions, plasma miRNA, and behavioral and cognitive measures following 28Si ion irradiation

The space radiation environment consists of multiple species of charged particles, including 28Si ions, that may impact brain function during and following missions. To develop biomarkers of the space radiation response, BALB/c and C3H female and male mice and their F2 hybrid progeny were irradiated with 28Si ions (350 MeV/n, 0.2 Gy) and tested for behavioral and cognitive performance 1, 6, and 12 months following irradiation. The plasma of the mice was collected for analysis of miRNA levels. Select pertinent brain regions were dissected for lipidomic analyses and analyses of levels of select biomarkers shown to be sensitive to effects of space radiation in previous studies. There were associations between lipids in select brain regions, plasma miRNA, and cognitive measures and behavioral following 28Si ion irradiation. Different but overlapping sets of miRNAs in plasma were found to be associated with cognitive measures and behavioral in sham and irradiated mice at the three time points. The radiation condition revealed pathways involved in neurodegenerative conditions and cancers. Levels of the dendritic marker MAP2 in the cortex were higher in irradiated than sham-irradiated mice at middle age, which might be part of a compensatory response. Relationships were also revealed with CD68 in miRNAs in an anatomical distinct fashion, suggesting that distinct miRNAs modulate neuroinflammation in different brain regions. The associations between lipids in selected brain regions, plasma miRNA, and behavioral and cognitive measures following 28Si ion irradiation could be used for the development of biomarker of the space radiation response.

Colloquium : Multiconfigurational time-dependent Hartree approaches for indistinguishable particles

In this Colloquium, the wavefunction-based Multiconfigurational Time-Dependent Hartree approaches to the dynamics of indistinguishable particles (MCTDH-F for Fermions and MCTDH-B for Bosons) are reviewed. MCTDH-B and MCTDH-F or, together, MCTDH-X are methods for describing correlated quantum systems of identical particles by solving the time-dependent Schr\"odinger equation from first principles. MCTDH-X is used to accurately model the dynamics of real-world quantum many-body systems in atomic, molecular, and optical physics. The key feature of these approaches is the time-dependence and optimization of the single-particle states employed for the construction of a many-body basis set, which yields nonlinear working equations. We briefly describe the historical developments that have lead to the formulation of the MCTDH-X methods and motivate the necessity for wavefunction-based approaches. We sketch the derivation of the unified MCTDH-F and MCTDH-B equations of motion for complete and also specific restricted configuration spaces. The strengths and limitations of the MCTDH-X approach are assessed via benchmarks against an exactly solvable model and via convergence checks. We highlight some applications to instructive and experimentally-realized quantum many-body systems: the dynamics of atoms in Bose-Einstein condensates in magneto-optical and optical traps and of electrons in atoms and molecules. We discuss the current development and frontiers in the field of MCTDH-X: theories and numerical methods for indistinguishable particles, for mixtures of multiple species of indistinguishable particles, the inclusion of nuclear motion for the nonadiabatic dynamics of atomic and molecular systems, as well as the multilayer and second-quantized-representation approaches, and the orbital-adaptive time-dependent coupled-cluster theory are discussed.

PeakTree: a framework for structure-preserving radar Doppler spectra analysis

Abstract. Clouds are frequently composed of more than one particle population even at the smallest scales. Cloud radar observations frequently contain information on multiple particle species in the observation volume when there are distinct peaks in the Doppler spectrum. Multi-peaked situations are not taken into account by established algorithms, which only use moments of the Doppler spectrum. In this study, we propose a new algorithm that recursively represents the subpeaks as nodes in a binary tree. Using this tree data structure to represent the peaks of a Doppler spectrum, it is possible to drop all a priori assumptions on the number and arrangement of subpeaks. The approach is rigid, unambiguous and can provide a basis for advanced analysis methods. The applicability is briefly demonstrated in two case studies, in which the tree structure was used to investigate particle populations in Arctic multilayered mixed-phase clouds, which were observed during the research vessel Polarstern expedition PS106 and the Atmospheric Radiation Measurement Program BAECC campaign.

Analysis of Alfven eigenmode destabilization in ITER using a Landau closure model

Alfvén eigenmodes (AE) can be destabilized during ITER discharges driven by neutral beam injection (NBI) energetic particles (EP) and alpha particles. The aim of the present study is to analyze the AE stability of different ITER operation scenarios considering multiple energetic particle species. We use the reduced magneto-hydrodynamic (MHD) equations to describe the linear evolution of the poloidal flux and the toroidal component of the vorticity in a full 3D system, coupled with equations of density and parallel velocity moments for the EP species including the effect of the acoustic modes. The AEs driven by the NBI EP and alpha particles are stable in the configurations analyzed, only MHD-like modes with large toroidal couplings are unstable, although both can be destabilized if the EP increases above a threshold. The threshold is two times the model value for the NBI EP and alpha particles in the reverse shear (RS) case, leading to the destabilization of Beta induced AE (BAE) near the magnetic axis with a frequency of kHz and toroidal or elliptical AE (TAE/EAE) in the RS region with a frequency of kHz, respectively. On the other hand, the hybrid and steady state configurations show a threshold 3 times larger with respect to the model for the alpha particle and 40 times for the NBI EP, also destabilizing BAE and TAE between the inner and middle plasma region. In addition, a extended analysis of the RS scenario where the of both alpha particles and NBI EP are above the AE threshold, multiple EP damping effects are also identified as well as optimization trends regarding the resonance properties of the alpha particle and NBI EP with the bulk plasma.

Study of Alfven eigenmodes stability in plasma with multiple NBI driven energetic particle species

The aim of this study is to analyze the destabilization of Alfven Eigenmodes (AEs) by multiple energetic particle (EP) species in DIII-D and LHD discharges. We use the reduced MHD equations to describe the linear evolution of the poloidal flux and the toroidal component of the vorticity in a full 3D system, coupled with equations of density and parallel velocity moments for the energetic particle species, including the effect of the acoustic modes, diamagnetic currents, and helical couplings. We add the Landau damping and resonant destabilization effects using a closure relation. The simulations with multiple neutral beam injector (NBI) lines show three different regimes: the nondamped regime where the multibeam AE growth rate is larger compared to the growth rate of the AEs destabilized by the individual NBI lines, the interaction regime where the multibeam AE growth rate is smaller than the single NBI AEs, and the damped regime where the AEs are suppressed. Operations in the damped regime require EP species with different density profile flatness or gradient locations. In addition, the AE growth rate in the interaction regime is further reduced if the combined NBI lines have similar beam temperatures and the β of the NBI line with a flatter EP density profile increases. Then, optimization trends are identified in DIII-D high poloidal β and LHD low density/magnetic field discharges with multiple NBI lines as well as the configuration requirements to operate in the damped and interaction regimes. DIII-D simulations show a decrease in the n = 2 to 6 AE growth rate and n = 1 AE are stabilized in the LHD case. The helical coupling effects in LHD simulations lead to a transition from the interaction to the damped regime of the n = 2, –8, 12 helical family.

Streaming instability of multiple particle species in protoplanetary disks

The radial drift and diffusion of dust particles in protoplanetary disks affect both the opacity and temperature of such disks, as well as the location and timing of planetesimal formation. In this paper, we present results of numerical simulations of particle-gas dynamics in protoplanetary disks that include dust grains with various size distributions. We have considered three scenarios in terms of particle size ranges, one where the Stokes number τs = 10−1−100, one where τs = 10−4−10−1, and finally one where τs = 10−3−100. Moreover, we considered both discrete and continuous distributions in particle size. In accordance with previous works we find in our multispecies simulations that different particle sizes interact via the gas and as a result their dynamics changes compared to the single-species case. The larger species trigger the streaming instability and create turbulence that drives the diffusion of the solid materials. We measured the radial equilibrium velocity of the system and find that the radial drift velocity of the large particles is reduced in the multispecies simulations and that the small particle species move on average outwards. We also varied the steepness of the size distribution, such that the exponent of the solid number density distribution, dN∕da ∝ a−q, is either q = 3 or q = 4. Overall, we find that the steepness of the size distribution and the discrete versus continuous approach have little impact on the results. The level of diffusion and drift rates are mainly dictated by the range of particle sizes. We measured the scale height of the particles and observe that small grains are stirred up well above the sedimented midplane layer where the large particles reside. Our measured diffusion and drift parameters can be used in coagulation models for planet formation as well as to understand relative mixing of the components of primitive meteorites (matrix, chondrules and CAIs) prior to inclusion in their parent bodies.

The exact phase diagram for a class of open multispecies asymmetric exclusion processes

The asymmetric exclusion process is an idealised stochastic model of transport, whose exact solution has given important insight into a general theory of nonequilibrium statistical physics. In this work, we consider a totally asymmetric exclusion process with multiple species of particles on a one-dimensional lattice in contact with reservoirs. We derive the exact nonequilibrium phase diagram for the system in the long time limit. We find two new phenomena in certain regions of the phase diagram: dynamical expulsion when the density of a species becomes zero throughout the system, and dynamical localisation when the density of a species is nonzero only within an interval far from the boundaries. We give a complete explanation of the macroscopic features of the phase diagram using what we call nested fat shocks.

Ballistic transport in the one-dimensional Hubbard model: The hydrodynamic approach

We outline a general formalism of hydrodynamics for quantum systems with multiple particle species which undergo completely elastic scattering. In the thermodynamic limit, the complete kinematic data of the problem consist of the particle content, the dispersion relations, and a universal dressing transformation which accounts for interparticle interactions. We consider quantum integrable models and we focus on the one-dimensional fermionic Hubbard model. By linearizing hydrodynamic equations, we provide exact closed-form expressions for Drude weights, generalized static charge susceptibilities, and charge-current correlators valid on the hydrodynamic scale, represented as integral kernels operating diagonally in the space of mode numbers of thermodynamic excitations. We find that, on hydrodynamic scales, Drude weights manifestly display Onsager reciprocal relations even for generic (i.e., noncanonical) equilibrium states, and establish a generalized detailed balance condition for a general quantum integrable model. We present exact analytic expressions for the general Drude weights in the Hubbard model, and explain how to reconcile different approaches for computing Drude weights from the previous literature.