研究者詳細 - 荒井　規允

論文 - 荒井　規允

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A stochastic Hamiltonian formulation applied to dissipative particle dynamics

Peng L., Arai N., Yasuoka K.

Applied Mathematics and Computation （Applied Mathematics and Computation） 426 127126 - 127126 2022年08月

研究論文（学術雑誌）, 査読有り, ISSN 00963003

In this paper, a stochastic Hamiltonian formulation (SHF) is proposed and applied to dissipative particle dynamics (DPD) simulations. As an extension of Hamiltonian dynamics to stochastic dissipative systems, the SHF provides necessary foundations and great convenience for constructing efficient numerical integrators. As a first attempt, we develop the Störmer–Verlet type of schemes based on the SHF, which are structure-preserving for deterministic Hamiltonian systems without external forces, the dissipative forces in DPD. Long-time behaviour of the schemes is shown numerically by studying the damped Kubo oscillator. In particular, the proposed schemes include the conventional Groot–Warren's modified velocity-Verlet method and a modified version of Gibson–Chen–Chynoweth as special cases. The schemes are applied to DPD simulations and analysed numerically.

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Theoretical Design of a Janus-Nanoparticle-Based Sandwich Assay for Nucleic Acids

Sato Takumi, Esashika Keiko, Yamamoto Eiji, Saiki Toshiharu, Arai Noriyoshi

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES （International Journal of Molecular Sciences） 23 （ 15 ） 2022年08月

研究論文（学術雑誌）, 査読有り, ISSN 16616596

Nanoparticles exhibit diverse self-assembly attributes and are expected to be applicable under unique settings. For instance, biomolecules can be sandwiched between dimer nanoparticles and detected by surface-enhanced Raman scattering. Controlling the gap between extremely close dimers and stably capturing the target molecule in the gap are crucial aspects of this strategy. Therefore, polymer-tethered nanoparticles (PTNPs), which show promise as high-performance materials that exhibit the attractive features of both NPs and polymers, were targeted in this study to achieve stable biomolecule sensing. Using coarse-grained molecular dynamics simulations, the dependence of the PTNP interactions on the length of the grafted polymer, graft density, and coverage ratio of a hydrophobic tether were examined. The results indicated that the smaller the tether length and graft density, the smaller was the distance between the PTNP surfaces ((Formula presented.)). In contrast, (Formula presented.) decreased as the coverage ratio of the hydrophobic surface ((Formula presented.)) increased. The sandwiching probability of the sensing target increased in proportion to the coverage ratio. At high (Formula presented.) values, the PTNPs aggregated into three or more particles, which hindered their sensing attributes. These results provide fundamental insight into the sensing applications of NPs and demonstrate the usefulness of PTNPs in sensing biomolecules.

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ソフトマターの粗視化分子シミュレーション

荒井規允

色材協会誌（一般社団法人色材協会） 95 （ 4 ） 92 - 97 2022年04月

研究論文（研究会，シンポジウム資料等）, 査読有り, ISSN 0010-180X

ソフトマターは与えられた外力に対して特異な応答を示す。この性質を利用し，洗剤や化粧品，ゴムタイヤ，液晶ディスプレイなどさまざまな機能性材料として用いられている。これらの材料の性質は分子構造だけでなく，それらが集まって形成される自己集合構造にも強く影響することが知られている。ゆえに所望の機能をもつ材料の設計には，ソフトマターの自己集合構造を予測・制御することが重要となる。われわれは粗視化分子シミュレーションを用い，さまざまなソフトマターの自己集合挙動，さらには自己集合構造と物性の関係性について研究してきた。ここではこれまで取り組んできた研究の中からいくつかについて紹介する。

散逸粒子動力学法を用いたナノ空間内における高分子グラフトナノ粒子の自己組織化に関する研究

佐藤碧海, 小林祐生, 荒井規允

日本機械学会関東支部総会講演会講演論文集（一般社団法人日本機械学会） 2022.28 （ 0 ） 15F17 2022年

研究論文（研究会，シンポジウム資料等）, 査読有り

In this study, we investigate the morphology and phase diagram of self-assembled polymeric nanoparticles (NPs) confined within nanotubes (NTs) by dissipative particle dynamics simulations. There is a clear relationship between the self-assembling architecture of nanoparticles (NPs) and their physical properties, and Polymer-tethered NPs, which are created by grafting polymers onto NPs to control the self-assembly of NPs, have attracted considerable attention. However, self-assembled structures have not been systematically classified because of the large number of tuning parameters such as the polymer length and graft density. In this study, we investigated the confinement of NPs grafted with three types of polymers: hydrophilic, hydrophobic and Janus surface, hydrophilic and hydrophobic walls. First, we derived the qualitative phase diagram of the axial pressure Pz and the ratio L of NT radius to NP radius. As a result, in polymer-grafted NPs with Janus amphiphilic surface, hydrophobic and hydrophilic polymer tether NPs were found to assemble axially to form an ordered structure, and in hydrophobic NTs, a double helical structure was formed at L=3.0. These simulation results show that the self-assembled structure of polymer tether NPs can be qualitatively predicted based on the chemical properties of NT walls and the surface design of polymer tether NPs.

雲母表面間に閉じ込められた OMCTS の構造とせん断粘度に関する分子動力学シミュレーション

小林祐生, 荒井規允, 泰岡顕治

日本機械学会関東支部総会講演会講演論文集（一般社団法人日本機械学会） 2022.28 （ 0 ） 15F20 2022年

研究論文（研究会，シンポジウム資料等）, 査読有り

Fluids confined in nanochannel exhibit distinct phases and flow properties not shown in the bulk. These confined systems are involved in many industrial and engineering applications such as nanofluidic devices, biological membranes and therefore understanding and controlling the molecular behavior of confined liquids is important. Octamethylcyclotetrasiloxane (OMCTS) is a small macrocycle made of four covalently linked Si(Me)2O units which have been used as a model liquid in the experimental studies. However, much less is known about the mechanisms related to external stimuli such as shear and how those molecular behaviors in a confined system impact the flow properties of the whole liquid. In this study, we have investigated the structure and shear viscosity of OMCTS confined between two mica walls under shear, using molecular dynamics simulation. The results showed layering of OMCTS molecules, depending on the distance between two mica surfaces. In addition to this, the structural changes were observed accompanied by shear-thinning behavior when we applied shear to the system.

Simulation study on the effects of the self-assembly of nanoparticles on thermal conductivity of nanofluids

Tanaka Shogo, Arai Noriyoshi, Kobayashi Yusei

CHEMICAL PHYSICS LETTERS （Chemical Physics Letters） 785 （ 139129 ） 2021年12月

研究論文（学術雑誌）, 査読有り, ISSN 0009-2614

The mechanisms underlying the thermal conductivity behavior of nanofluids have not been completely clarified thus far. This is due to the various competing factors and the lack of a molecular-level understanding of the heat transfer enhancement of nanofluids. In this study, energy-conserving dissipative particle dynamics simulations were conducted to investigate the effects of the self-assembly of nanoparticles (NPs) on the nanoscale heat transfer properties. We demonstrated that considering the balance between the effects of the distance between the NPs and the solvent and the enhancement in thermal conductivity on adding NPs is important for controlling the thermal conductivity of nanofluids.

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慶應義塾大学理工学部機械工学科荒井研究室

荒井規允

アンサンブル（分子シミュレーション学会） 23 （ 4 ） 290 - 293 2021年10月

研究論文（研究会，シンポジウム資料等）, 査読有り, ISSN 18846750

Effect of chemical design of grafted polymers on the self-assembled morphology of polymer-tethered nanoparticles in nanotubes

Sato Takumi, Kobayashi Yusei, Arai Noriyoshi

JOURNAL OF PHYSICS-CONDENSED MATTER （Journal of Physics Condensed Matter） 33 （ 36 ） 2021年09月

研究論文（学術雑誌）, 査読有り, ISSN 0953-8984

There is a clear relationship between the self-assembling architecture of nanoparticles (NPs) and their physical properties, and they are currently used in a variety of applications, including optical sensors. Polymer-tethered NPs, which are created by grafting polymers onto NPs to control the self-assembly of NPs, have attracted considerable attention. Recent synthetic techniques have made it possible to synthesize a wide variety of polymers and thereby create NPs with many types of surfaces. However, self-assembled structures have not been systematically classified because of the large number of tuning parameters such as the polymer length and graft density. In this study, by using coarse-grained molecular simulation, we investigated the changes in the self-assembled structure of polymer-tethered NP solutions confined in nanotubes due to the chemical properties of polymers. Three types of tethered polymer NP models were examined: homo hydrophilic, diblock hydrophilic-hydrophobic (HI-HO), and diblock hydrophobic-hydrophilic. Under strong confinement, the NPs were dispersed in single file at low axial pressure. As the pressure increased, multilayered lamellar was observed in the HI-HO model. In contrast, under weak confinement, the difference in the pressure at which the phases emerge, depending on the model, was significant. By changing the chemical properties of the grafted polymer, the thermodynamic conditions (the axial pressure in this study) under which the phases appear is altered, although the coordination of NPs remains almost unchanged. Our simulation offers a theoretical guide for controlling the morphologies of self-assembled polymer-tethered NPs, a novel system that may find applications in nanooptical devices or for nanopatterning.

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Molecular Insight into the Possible Mechanism of Drag Reduction of Surfactant Aqueous Solution in Pipe Flow

Kobayashi Yusei, Gomyo Hirotaka, Arai Noriyoshi

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES （International Journal of Molecular Sciences） 22 （ 14 ） 7573 - 7573 2021年07月

研究論文（学術雑誌）, 査読有り, ISSN 16616596

The phenomenon of drag reduction (known as the “Toms effect”) has many industrial and engineering applications, but a definitive molecular-level theory has not yet been constructed. This is due both to the multiscale nature of complex fluids and to the difficulty of directly observing self-assembled structures in nonequilibrium states. On the basis of a large-scale coarse-grained molecular simulation that we conducted, we propose a possible mechanism of turbulence suppression in surfactant aqueous solution. We demonstrate that maintaining sufficiently large micellar structures and a homogeneous radial distribution of surfactant molecules is necessary to obtain the drag-reduction effect. This is the first molecular-simulation evidence that a micellar structure is responsible for drag reduction in pipe flow, and should help in understanding the mechanisms underlying drag reduction by surfactant molecules under nonequilibrium conditions.

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Self-assembly of polymer-tethered nanoparticles with uniform and Janus surfaces in nanotubes

Sato Takumi, Kobayashi Yusei, Michioka Takenobu, Arai Noriyoshi

SOFT MATTER （Soft Matter） 17 （ 15 ） 4047 - 4058 2021年04月

研究論文（学術雑誌）, 査読有り, ISSN 1744-683X

In this study, a coarse-grained molecular simulation was performed to investigate the morphologies and phase diagrams of self-assembled polymer-tethered nanoparticles (NPs) confined in nanotubes (NTs). Unlike ordinary NPs, polymer-tethered NPs have two distinct characteristic lengths, which are key factors that determine their self-assembly. Herein, two distinct types of NT walls and three types of polymer-tethered NPs were considered: hydrophilic and hydrophobic walls, and hydrophilic, hydrophobic, and Janus surfaces. First, the qualitative phase diagrams of the axial pressure,Pz,versusthe ratio of the NT radius to the NP radius,L, were derived. The results revealed that diverse self-assembled morphologies, which are not formed in non-tethered NPs, were observed in the polymer-tethered NPs. For example, three types of ordered structures with different structural characteristic lengths, depending onPz, were obtained. In addition, the effect of the chemical nature of the polymer-tethered NP surface on the self-assembled morphology confined in NTs was investigated. Clusters of water molecules were formed, particularly in the hydrophobic polymer-tethered NPs, and these clusters caused the structural distortion of the NP. Moreover, in the polymer-tethered NPs with the Janus amphiphilic surface, the hydrophobic and hydrophilic polymer tethered NPs assembled in the axial direction to form an ordered structure, and a double-helix structure was formed atL= 3.0 in the hydrophobic NT. The results of these simulations indicate that the self-assembly behaviours of polymer-tethered NPs can be qualitatively predicted based on the chemical nature of the NT walls and the surface design of the polymer-tethered NP.

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Nanotube Active Water Pump Driven by Alternating Hydrophobicity

Arai Noriyoshi, Koishi Takahiro, Ebisuzaki Toshikazu

ACS NANO （ACS Nano） 15 （ 2 ） 2481 - 2489 2021年02月

研究論文（学術雑誌）, 査読有り, ISSN 1936-0851

Water transport must be efficiency controlled for the future sustainability of life. Various water transport systems using carbon nanotubes have been proposed in recent years. Although these systems are more permeable than aquaporins, their water transport is passive. In this study, we successfully demonstrate an active water pump driven by simple hydrophobic interaction through computer simulation. Even in the absence of a pressure- or density-gradient, the proposed pump can actively transport water molecules by alternately switching the hydrophobicity of the pump surface. The water transport rate can be easily controlled by varying the time interval of switching. The pump with optimized switching time exhibits prominent water permeance. The results obtained herein can be applied in various water transport technologies because of the simple mechanics. The proposed water pump has the potential to realize an effective device such as a low-energy artificial purification system.

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準一次元閉じ込め系におけるコレステリック液晶が形成する自己集合構造に関する散逸粒子動力学シミュレーション

辻之上弘晃, 野澤拓磨, 高橋和義, 荒井規允

日本機械学会関東支部総会講演会講演論文集（一般社団法人日本機械学会） 2021.27 （ 0 ） 10C14 2021年

研究論文（研究会，シンポジウム資料等）, 査読有り

Blue phases (BPs) are three-dimensional self-assembly structures of liquid crystals with a lattice of line defects. They have attracted considerable interest as the potential in next generation displays. It is well known that BPs occur in cholesteric liquid crystals (CLCs) under certain thermodynamic conditions. However, previous studies have indicated that confining surfaces may induce distinctive structural changes. For example, a quasi-two-dimensional (Q2D) confinement system was investigated with the aid of numerical calculations, and a stable Q2D Skyrmion structure was attained. In this study, we investigated the CLC phase behavior at the molecular scale for a quasi-one-dimensional (Q1D) nanotube system using molecular simulations. We observed the various morphological behaviors of CLCs by changing the temperature and the radius of nanotube. Specially, we discovered a self-assembly structures with cylindrical defects rather than lines by introducing a novel local orientation analysis. Our results show that the self-assembly of CLCs offers a guide to control the intensity in one-dimensional confinement and fundamental knowledge for application to optical devices.

粗視化分子シミュレーションを用いたコロイド-ポリマー混合溶液の自己集合と粘性挙動に関する研究

小林祐生, 荒井規允, Arash Nikoubashman

日本機械学会関東支部総会講演会講演論文集（一般社団法人日本機械学会） 2021.27 （ 0 ） 10C12 2021年

研究論文（研究会，シンポジウム資料等）, 査読有り

We investigate the structure and rheological properties of dilute colloid-polymer mixtures at rest and under shear via molecular simulations that take into account hydrodynamic interactions. Mixtures of amphiphilic Janus colloids (JCs) and hydrophobic/amphiphilic polymers are considered for various solvent qualities and polymer concentrations. Free polymers, small colloidal micelles, and small hybrid aggregates coexist in mixtures with slightly hydrophobic homopolymers. As the solvent quality worsens, all polymers aggregate into small droplets, covered and stabilized by the JCs. In mixtures with amphiphilic polymers, we observe the coexistence of free polymers, purely polymeric micelles, and hybrid aggregates. At small shear rates, all mixtures exhibit a Newtonian-like response with intrinsic shear viscosities that are up to two times as large as of pure suspensions of non-adsorbing colloids at the same concentration. Further, the mean aggregation number increases slightly due to the flow-enhanced collision of aggregates. At larger shear rates, however, the aggregates break up, the polymers align in the flow direction, and the mixtures become shear-thinning. This shear-induced breakup occurs at stronger shear compared to pure JC suspensions, indicating that the adsorbed polymers reinforce the hybrid aggregates.

Structure and Shear Response of Janus Colloid-Polymer Mixtures in Solution

Kobayashi Yusei, Arai Noriyoshi, Nikoubashman Arash

LANGMUIR （Langmuir） 36 （ 47 ） 14214 - 14223 2020年12月

研究論文（学術雑誌）, 査読有り, ISSN 0743-7463

We investigate the structure and rheological properties of dilute colloid-polymer mixtures at rest and under shear via molecular simulations that take into account hydrodynamic interactions. Mixtures of amphiphilic Janus colloids (JCs) and hydrophobic/amphiphilic polymers are considered for various solvent qualities and polymer concentrations. Free polymers, small polymer droplets, and hybrid aggregates coexist in mixtures with slightly hydrophobic homopolymers. As the solvent quality worsens, all polymers aggregate into small droplets, covered and stabilized by the JCs. In mixtures with amphiphilic polymers, we observe the coexistence of free polymers, purely polymeric micelles, and hybrid aggregates. At low shear rates, all mixtures exhibit a Newtonian-like response with intrinsic shear viscosities that are up to 2 times as large as of pure suspensions of nonadsorbing colloids at the same concentration. Furthermore, the mean aggregation number increases slightly due to the flow-enhanced collision of aggregates. At larger shear rates, however, the aggregates break up, the polymers align in the flow direction, and the mixtures exhibit shear-thinning. This shear-induced breakup occurs at stronger shear compared to pure JC suspensions, indicating that the adsorbed polymers reinforce the hybrid aggregates.

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Effect of the Janus Amphiphilic Wall on the Viscosity Behavior of Aqueous Surfactant Solutions.

Tsujinoue H, Kobayashi Y, Arai N

Langmuir : the ACS journal of surfaces and colloids （Langmuir : the ACS journal of surfaces and colloids） 36 （ 36 ） 10690 - 10698 2020年09月

研究論文（学術雑誌）, 共著, 査読有り, ISSN 0743-7463

The effects of the chemical nature of an interface are one of the key parameters which can affect self-assembly and rheological behavior. To date, several studies have reported self-assembled structures and rheological behaviors in the development of various functional materials. In this study, we investigated the self-assembly and viscosity behavior of aqueous surfactant solutions confined in three types of Janus amphiphilic nanotubes (JANTs), which have two, four, and eight sequential domains, respectively, using molecular simulation. We found that the viscosity behavior depends on the surfactant concentration and the chemical nature of the wall surface. For instance, although the concentration levels of the surfactants are the same (c = 10%), completely different viscosity behaviors were observed in the two sequential domains (Newtonian-like) and the four and eight sequential domains (strong shear-thinning) of the JANTs. Our simulations demonstrated how the rheological properties of aqueous surfactant solutions, including viscosity and velocity profiles, can be controlled by the chemical nature of the JANT wall surface, effect of confinement, and their self-assembly structures. Considering the foregoing, we hope that our study offers new knowledge on nanofluid systems.

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Cylindrical defect structures formed by chiral nematic liquid crystals in quasi-one-dimensional systems.

Tsujinoue H, Nozawa T, Arai N

Physical chemistry chemical physics : PCCP （Physical Chemistry Chemical Physics） 22 （ 29 ） 16896 - 16904 2020年08月

研究論文（学術雑誌）, 共著, 査読有り, ISSN 1463-9076

© the Owner Societies. Blue phases are three-dimensional self-assembly structures of liquid crystals with a lattice of line defects. They have attracted considerable interest as photonic materials. It is well known that blue phases occur in cholesteric liquid crystals (CLCs) under certain thermodynamic conditions; however, recent studies have indicated that confining surfaces may induce distinctive structural changes. For example, in a previous study, a quasi-two-dimensional (Q2D) confinement system was investigated with the aid of numerical calculations, and a stable Q2D Skyrmion structure was attained. Here, we performed molecular simulations to investigate the CLC phase behavior at the molecular scale for a quasi-one-dimensional (Q1D) nanotube system. Various morphological behaviors of CLCs were observed by changing the temperature and the radius of the nanotubes. In particular, we discovered a self-assembled structure with cylindrical (or ring-like) defects rather than lines by introducing a novel local orientation analysis. Our simulation results show that the self-assembly of CLCs offers a guide to control the intensity in Q1D systems and fundamental knowledge for their application to optical devices. This journal is

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A biointerface effect on the self-assembly of ribonucleic acids: a possible mechanism of RNA polymerisation in the self-replication cycle

Arai N., Kobayashi Y., Yasuoka K.

Nanoscale （Nanoscale） 12 （ 12 ） 6691 - 6698 2020年03月

研究論文（学術雑誌）, 共著, 査読有り, ISSN 2040-3364

Despite decades of intensive research, many questions remain on the formation and growth of the first cells on Earth. Here, we used computer simulation to compare the self-assembly process of ribonucleic acids in two environments: enclosed in a vesicle-cell membrane and in the bulk. The self-assembly was found to be more favoured in the former environment, and the origin of such a biointerface effect was identified. These results will contribute to a better understanding of the origin of life on the primitive Earth.

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Performance of Coarse Graining in Estimating Polymer Properties: Comparison with the Atomistic Model

Miwatani Ryota, Takahashi Kazuaki Z., Arai Noriyoshi

POLYMERS （Polymers） 12 （ 2 ） 382 - 382 2020年02月

研究論文（学術雑誌）, 共著, 査読有り

© 2020 by the authors. Combining atomistic and coarse-grained (CG) models is a promising approach for quantitative prediction of polymer properties. However, the gaps between the length and time scales of atomistic and CG models still need to be bridged. Here, the scale gaps of the atomistic model of polyethylene melts, the bead-spring Kremer-Grest model, and dissipative particle dynamics with the slip-spring model were investigated. A single set of spatial and temporal scaling factors was determined between the atomistic model and each CG model. The results of the CG models were rescaled using the set of scaling factors and compared with those of the atomistic model. For each polymer property, a threshold value indicating the onset of static or dynamic universality of polymers was obtained. The scaling factors also revealed the computational efficiency of each CG model with respect to the atomistic model. The performance of the CG models of polymers was systematically evaluated in terms of both the accuracy and computational efficiency.

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Structure and dynamics of amphiphilic Janus spheres and spherocylinders under shear

Kobayashi Yusei, Arai Noriyoshi, Nikoubashman Arash

SOFT MATTER （Soft Matter） 16 （ 2 ） 476 - 486 2020年01月

研究論文（学術雑誌）, 共著, 査読有り, ISSN 1744-683X

This journal is © The Royal Society of Chemistry. We study the structure formation and flow properties of colloidal dispersions comprised of Janus spheres, Janus spherocylinders, and their mixtures, using hybrid molecular dynamics simulations that take into account hydrodynamic interactions. We systematically vary the Janus balance and the shape anisotropy of the particles, and explore a range of colloid volume fractions in the liquid regime of the phase diagram. At rest, Janus spheres with small hydrophobic patches form spherical micelles for all investigated colloid concentrations. In contrast, Janus spheres with an entirely hydrophobic hemisphere aggregate to larger worm-like micelles and network-like structures. Janus spherocylinders exhibit a similar self-assembly behavior. At small and intermediate shear, we observe deformation and rearrangement of the micelles, accompanied by a Newtonian-like rheology with slightly higher shear viscosity compared to homoparticle dispersions at the same concentration. As the shear rate is increased further, the micelles eventually break up into small dimers and free particles, causing a distinct shear-thinning of the dispersions. The network-like structures exhibit a similar flow behavior at high shear rates, but for weak shear we find an almost threefold increase of the shear viscosity and a distinct shear-thinning behavior due to the fracturing of the intertwined networks. In general, we identify a strong correlation between the size of the aggregates and the rheology of the dispersions, allowing for the determination of dynamic properties solely based on structural information.

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界面活性剤水溶液およびコロイド懸濁液における自己集合と流動ダイナミクス

小林祐生, 荒井規允

混相流（日本混相流学会） 34 （ 1 ） 11 - 18 2020年

研究論文（研究会，シンポジウム資料等）, 共著, 査読有り, ISSN 0914-2843

In recent years, self-assembly of complex fluids has received considerable attention in the fields of nanoscience and nanotechnology. Self-assembly is involved in various functional materials that are widely used in industry and there is a strong relationship between self-assembled structures and specific functions. Hence, the understanding and controlling of the self-assembly controlling of complex fluids is important and a useful process in materials chemistry and engineering. In this paper, the recent developments on studies of the structure formation and flow properties of amphiphilic molecules and Janus colloids in solution, using coarse-grained simulation that takes into account hydrodynamic interactions are reviewed. We first briefly introduce the dissipative particle dynamics method and discuss in detail the self-assembly behavior and viscosity properties of surfactant aqueous solution in nanotubes. Following this, we describe another simulation method in which solvent particles are modeled explicitly as point particles, which is the so-called "the multi-particle collision dynamics (MPCD)". The relation between the structural and rheological properties of Janus colloids in solution, using molecular dynamics simulations coupled to MPCD is reported. In general, the shear viscosity of the dispersion correlates strongly with the size of the aggregates not aggregates shape. These results allow us to determine the dynamic properties solely based on structural information.

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