The Boson peak interpretation and evolution in confined amorphous water

Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; Chen, Sow‐Hsin; Fratini, Emiliano

doi:10.1007/s11433-018-9380-x

Cited by 8 publications

(5 citation statements)

References 56 publications

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“…Likewise, the second and third peaks at~1.0 THz and 1.4 THz found in our TH experiments and simulations agree well with the Boson peak of water, since this structural fingerprint has been found at 1.1 THz in protein hydration water [36] and at 1.35 THz in confined water [35,37]. In fact, neutron scattering experiments have recently observed a wide Boson peak at~1.35 THz for water confined in the porous network of cement pastes [37]. In this sense, it is worth noting that the peaks detected by the THz experiments in OPC cement-based materials seem to emphasize more the signal coming from the "solvation water" (1.1 THz) than the one from the "bulk-like" confined water (1.35 THz).…”

Section: Discussionsupporting

confidence: 86%

“…Very sharp peaks at~0.6 THz have been found for instance in Molecular Dynamic simulations of supercooled water [35] or in THz transmission measurements over hydrated proteins [36]. Likewise, the second and third peaks at~1.0 THz and 1.4 THz found in our TH experiments and simulations agree well with the Boson peak of water, since this structural fingerprint has been found at 1.1 THz in protein hydration water [36] and at 1.35 THz in confined water [35,37]. In fact, neutron scattering experiments have recently observed a wide Boson peak at~1.35 THz for water confined in the porous network of cement pastes [37].…”

Section: Discussionsupporting

confidence: 86%

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THz Fingerprints of Cement-Based Materials

et al. 2020

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To find materials with an appropriate response to THz radiation is key for the incoming THz technology revolution. Unfortunately, this region of the electromagnetic spectra remains largely unexplored in most materials. The present work aims at unveiling the most significant THz fingerprints of cement-based materials. To this end transmission experiments have been carried out over Ordinary Portland Cement (OPC) and geopolymer (GEO) binder cement pastes in combination with atomistic simulations. These simulations have calculated for the first time, the dielectric response of C-S-H and N-A-S-H gels, the most important hydration products of OPC and GEO cement pastes respectively. Interestingly both the experiments and simulations reveal that both varieties of cement pastes exhibit three main characteristic peaks at frequencies around ~0.6 THz, ~1.05 THz and ~1.35 THz, whose origin is governed by the complex dynamic of their water content, and two extra signals at ~1.95 THz and ~2.75 THz which are likely related to modes involving floppy parts of the dried skeleton.

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Section: Discussionsupporting

confidence: 86%

Section: Discussionsupporting

confidence: 86%

THz Fingerprints of Cement-Based Materials

et al. 2020

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“…The link between the BP and the water polymorphism is verified via the observed BP behaviors in the "LDL" and "HDL" phases of cooled water. In conclusion, the Widom line can be detected from the changes in the frequency and width of the Boson Peak as one approaches a phase region dominated by the LDL phase [212,220]. Figure 37 shows that the pressure-temperature behavior of the self diffusion of water, D S , is also anomalous.…”

Section: The Boson Peakmentioning

confidence: 89%

Experimental tests for a liquid-liquid critical point in water

Mallamace

Corsaro

Mallamace

et al. 2020

Sci. China Phys. Mech. Astron.

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Water is a fascinating material. Its composition is simple-one oxygen and two hydrogen atoms-but its chemistry and physics are extremely complex and exhibit 75 documented anomalies. Although these anomalies and their molecular origin are not completely understood, we know that hydrogen bonds play key roles in all of the phases of water. Moreover, there is experimental evidence that the polymorphism of the ice structure extends into the liquid phase and is associated with a liquid-liquid coexistence line. This is currently a topic of great interest in water research because there are indications that the end point of the coexistence line corresponds to a second critical point inside the supercooled liquid regime. We examine the recent progress in understanding water anomalies and the liquid-liquid phase transition hypothesis, including the results of recent experimental work and molecular simulations of both bulk and confined water. We examine experimental results that test whether the behavior of liquid water is consistent with the "liquid polymorphism" hypothesis that liquid water can exist in two distinct phases of differing densities. We also examine recent research on the anomalies of nanoconfined water and, in particular, on water in biological environments. We find that the concept of liquid polymorphism can also describe the properties of other liquids that have two characteristic length scales. hydrophobic-hydrophilic interactions, water systems, thermal properties

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“…Before starting such a discussion, we show in Figure 3, for the purpose of comparison, the G(E) measured with INS in bulk (T=298 K) [34] and confined water near the room temperature. In the second case, the DOS for water confined in Vycor (pore size 50 Å T=300 K) [34], in MCM (actual data T=280 K) and for the cement hydration one (T=300 K) [68,69] are illustrated. As can be observed, a boson peak is observable at about the same energy for bulk and confined water, although under confinement such a contribution is attenuated.…”

Section: Methodsmentioning

confidence: 99%

“…The figure reports, in the energy region −30 to 0 meV, at about the ambient conditions (0.1 MPa and about 300 K) the DOS of bulk [34] and confined water. In the confined case, the G(E) data for water confined in Vycor (300 K) [34], silica MCM nanotubes (280 K) and the cement hydration water (300 K) [69] are reported. For the first three cases, a strong similarity can be observed.…”

Section: Figurementioning

confidence: 99%

The Proton Density of States in Confined Water (H2O)

Chen

Corsaro

Mallamace

et al. 2019

IJMS

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The hydrogen density of states (DOS) in confined water has been probed by inelastic neutron scattering spectra in a wide range of its P–T phase diagram. The liquid–liquid transition and the dynamical crossover from the fragile (super-Arrhenius) to strong (Arrhenius) glass forming behavior have been studied, by taking into account the system polymorphism in both the liquid and amorphous solid phases. The interest is focused in the low energy region of the DOS (E<10 meV) and the data are discussed in terms of the energy landscape (local minima of the potential energy) approach. In this latest research, we consider a unit scale energy (EC) linked to the water local order governed by the hydrogen bonding (HB). All the measured spectra, scaled according to such energy, evidence a universal power law behavior with different exponents (γ) in the strong and fragile glass forming regions, respectively. In the first case, the DOS data obey the Debye squared-frequency law, whereas, in the second one, we obtain a value predicted in terms of the mode-coupling theory (MCT) (γ≃1.6).

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The Boson peak interpretation and evolution in confined amorphous water

Cited by 8 publications

References 56 publications

THz Fingerprints of Cement-Based Materials

THz Fingerprints of Cement-Based Materials

Experimental tests for a liquid-liquid critical point in water

The Proton Density of States in Confined Water (H2O)

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