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1.
J Biomech Eng ; 146(2)2024 02 01.
Artigo em Inglês | MEDLINE | ID: mdl-37994843

RESUMO

Functional luminal imaging probe (FLIP) is used to measure cross-sectional area (CSA) and pressure at sphincters. It consists of a catheter surrounded by a fluid filled cylindrical bag, closed on both ends. Plotting the pressure-CSA hysteresis of a sphincter during a contraction cycle, which is available through FLIP testing, offers information on its functionality, and can provide diagnostic insights. However, limited work has been done to explain the mechanics of these pressure-CSA loops. This work presents a consolidated picture of pressure-CSA loops of different sphincters. Clinical data reveal that although sphincters have a similar purpose (controlling the flow of liquids and solids by opening and closing), two different pressure-CSA loop patterns emerge: negative slope loop (NSL) and positive slope loop (PSL). We show that the loop type is the result of an interplay between (or lack thereof) two mechanical modes: (i) neurogenic mediated relaxation of the sphincter muscle or pulling applied by external forces, and (ii) muscle contraction proximal to the sphincter which causes mechanical distention. We conclude that sphincters which only function through mechanism (i) exhibition NSL whereas sphincters which open as a result of both (i) and (ii) display a PSL. This work provides a fundamental mechanical understanding of human sphincters. This can be used to identify normal and abnormal phenotypes for the different sphincters and help in creating physiomarkers based on work calculation.


Assuntos
Contração Muscular , Músculo Liso , Humanos , Manometria/métodos , Contração Muscular/fisiologia , Músculo Liso/fisiologia
2.
PLoS Comput Biol ; 18(6): e1010143, 2022 06.
Artigo em Inglês | MEDLINE | ID: mdl-35653381

RESUMO

Pulmonary drug delivery systems rely on inhalation of drug-laden aerosols produced from aerosol generators such as inhalers, nebulizers etc. On deposition, the drug molecules diffuse in the mucus layer and are also subjected to mucociliary advection which transports the drugs away from the initial deposition site. The availability of the drug at a particular region of the lung is, thus, determined by a balance between these two phenomena. A mathematical analysis of drug deposition and retention in the lungs is developed through a coupled mathematical model of aerosol transport in air as well as drug molecule transport in the mucus layer. The mathematical model is solved computationally to identify suitable conditions for the transport of drug-laden aerosols to the deep lungs. This study identifies the conditions conducive for delivering drugs to the deep lungs which is crucial for achieving systemic drug delivery. The effect of different parameters on drug retention is also characterized for various regions of the lungs, which is important in determining the availability of the inhaled drugs at a target location. Our analysis confirms that drug delivery efficacy remains highest for aerosols in the size range of 1-5 µm. Moreover, it is observed that amount of drugs deposited in the deep lung increases by a factor of 2 when the breathing time period is doubled, with respect to normal breathing, suggesting breath control as a means to increase the efficacy of drug delivery to the deep lung. A higher efficacy also reduces the drug load required to be inhaled to produce the same health effects and hence, can help in minimizing the side effects of a drug.


Assuntos
Sistemas de Liberação de Medicamentos , Pulmão , Aerossóis/farmacologia , Sistemas de Liberação de Medicamentos/métodos , Muco , Tamanho da Partícula
3.
Soft Matter ; 19(6): 1174-1185, 2023 Feb 08.
Artigo em Inglês | MEDLINE | ID: mdl-36651808

RESUMO

Gas vesicles (GVs) are proteinaceous cylindrical shells found within bacteria or archea growing in aqueous environments and are composed primarily of two proteins, gas vesicle protein A and C (GvpA and GvpC). GVs exhibit strong performance as next-generation ultrasound contrast agents due to their gas-filled interior, tunable collapse pressure, stability in vivo and functionalizable exterior. However, the exact mechanism leading to GV collapse remains inconclusive, which leads to difficulty in predicting collapse pressures for different species of GVs and in extending favorable nonlinear response regimes. Here, we propose a two stage mechanism leading to GV loss of echogenicity and rupture under hydrostatic pressure: elastic buckling of the cylindrical shell coupled with condensation driven weakening of the GV membrane. Our goal is to therefore test whether the final fracture of the GV membrane occurs by the interplay of both mechanisms or purely through buckling failure as previously believed. To do so, we (1) compare the theoretical condensation and buckling pressures with that for experimental GV collapse and (2) describe how condensation can lead to plastic buckling failure. GV shell properties that are necessary input to this theoretical description, such as the elastic moduli and wettability of GvpA, are determined using molecular dynamics simulations of a novel structural model of GvpA that better represents the hydrophobic core. For GVs that are not reinforced by GvpC, this analytical framework shows that the experimentally observed pressures resulting in loss of echogenicity coincide with both the elastic buckling and condensation pressure regimes. We also found that the stress strain curve for GvpA wetted on both the interior and exterior exhibits a loss of mechanical stability compared to GvpA only wetted on the exterior by the bulk solution. We identify a pressure vs. vesicle size regime where condensation can occur prior to buckling, which may preclude nonlinear shell buckling responses in contrast imaging.

4.
Proc Natl Acad Sci U S A ; 117(24): 13321-13328, 2020 Jun 16.
Artigo em Inglês | MEDLINE | ID: mdl-32461357

RESUMO

Above a critical temperature known as the Leidenfrost point (LFP), a heated surface can suspend a liquid droplet above a film of its own vapor. The insulating vapor film can be highly detrimental in metallurgical quenching and thermal control of electronic devices, but may also be harnessed to reduce drag and generate power. Manipulation of the LFP has occurred mostly through experiment, giving rise to a variety of semiempirical models that account for the Rayleigh-Taylor instability, nucleation rates, and superheat limits. However, formulating a truly comprehensive model has been difficult given that the LFP varies dramatically for different fluids and is affected by system pressure, surface roughness, and liquid wettability. Here, we investigate the vapor film instability for small length scales that ultimately sets the collapse condition at the Leidenfrost point. From a linear stability analysis, it is shown that the main film-stabilizing mechanisms are the liquid-vapor surface tension-driven transport of vapor mass and the evaporation at the liquid-vapor interface. Meanwhile, van der Waals interaction between the bulk liquid and the solid substrate across the vapor phase drives film collapse. This physical insight into vapor film dynamics allows us to derive an ab initio, mathematical expression for the Leidenfrost point of a fluid. The expression captures the experimental data on the LFP for different fluids under various surface wettabilities and ambient pressures. For fluids that wet the surface (small intrinsic contact angle), the expression can be simplified to a single, dimensionless number that encapsulates the wetting instability governing the LFP.

5.
Proc Natl Acad Sci U S A ; 117(12): 6323-6329, 2020 03 24.
Artigo em Inglês | MEDLINE | ID: mdl-32156727

RESUMO

Numerous studies have focused on designing functional surfaces that delay frost formation or reduce ice adhesion. However, solutions to the scientific challenges of developing antiicing surfaces remain elusive because of degradation such as mechanical wearing. Inspired by the discontinuous frost pattern on natural leaves, here we report findings on the condensation frosting process on surfaces with serrated structures on the millimeter scale, which is distinct from that on a conventional planar surface with microscale/nanoscale textures. Dropwise condensation, during the first stage of frosting, is enhanced on the peaks and suppressed in the valleys, causing frost to initiate from the peaks, regardless of surface chemistry. The condensed droplets in the valley are then evaporated due to the lower vapor pressure of ice compared with water, resulting in a frost-free zone in the valley, which resists frost propagation even on superhydrophilic surfaces. The dependence of the frost-free areal fraction on the geometric parameters and the ambient conditions is elucidated by both numerical simulations based on steady-state diffusion and an analytical method with an understanding of boundary conditions independent of surface chemistry. We envision that this study would provide a unified framework to design surfaces that can spatially control frost formation, crystal growth, diffusion-controlled growth of biominerals, and material deposition over a broad range of applications.

6.
Am J Physiol Gastrointest Liver Physiol ; 322(5): G500-G512, 2022 05 01.
Artigo em Inglês | MEDLINE | ID: mdl-35170365

RESUMO

We used in silico models to investigate the impact of the dimensions of myotomy, contraction pattern, the tone of the esophagogastric junction (EGJ), and musculature at the myotomy site on esophageal wall stresses potentially leading to the formation of a blown-out myotomy (BOM). We performed three sets of simulations with an in silico esophagus model, wherein the myotomy-influenced region was modeled as an elliptical section devoid of muscle fibers. These sets investigated the effects of the dimensions of myotomy, differing esophageal contraction types, and differing esophagogastric junction (EGJ) tone and wall stiffness at the myotomy affected region on esophageal wall stresses potentially leading to BOM. Longer myotomy was found to be accompanied by a higher bolus volume accumulated at the myotomy site. With respect to esophageal contractions, deformation at the myotomy site was greatest with propagated peristalsis, followed by combined peristalsis and spasm, and pan-esophageal pressurization. Stronger EGJ tone with respect to the wall stiffness at the myotomy site was found to aid in increasing deformation at the myotomy site. In addition, we found that an esophagus with a shorter myotomy performed better at emptying the bolus than that with a longer myotomy. Shorter myotomies decrease the chance of BOM formation. Propagated peristalsis with EGJ outflow obstruction has the highest chance of BOM formation. We also found that abnormal residual EGJ tone may be a co-factor in the development of BOM, whereas remnant muscle fibers at myotomy site reduce the risk of BOM formation.NEW & NOTEWORTHY Blown-out myotomy (BOM) is a complication observed after myotomy, which is performed to treat achalasia. In silico simulations were performed to identify the factors leading to BOM formation. We found that a short myotomy that is not transmural and has some structural architecture intact reduces the risk of BOM formation. In addition, we found that high esophagogastric junction tone due to fundoplication is found to increase the risk of BOM formation.


Assuntos
Acalasia Esofágica , Miotomia , Acalasia Esofágica/cirurgia , Junção Esofagogástrica , Fundoplicatura , Humanos , Manometria , Resultado do Tratamento
7.
J Cell Biochem ; 122(7): 752-759, 2021 07.
Artigo em Inglês | MEDLINE | ID: mdl-33619758

RESUMO

The coronavirus severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) remains an extant threat against public health on a global scale. Cell infection begins when the spike protein of SARS-CoV-2 binds with the human cell receptor, angiotensin-converting enzyme 2 (ACE2). Here, we address the role of tetracycline as an inhibitor for the receptor-binding domain (RBD) of the spike protein. Targeted molecular investigation show that tetracycline binds more favorably to the RBD (-9.40 kcal/mol) compared to doxycycline (-8.08 kcal/mol), chloroquine (-6.31 kcal/mol), or gentamicin (-4.83 kcal/mol) while inhibiting attachment to ACE2 to a greater degree (binding efficiency of 2.98 kcal/(mol nm2 ) for tetracycline-RBD, 5.16 kcal/(mol nm2 ) for doxycycline-RBD, 5.59 kcal/(mol nm2 ) for chloroquine-RBD, and 7.02 kcal/(mol nm2 ) for gentamicin-RBD. Stronger inhibition by tetracycline is verified with nonequilibrium PMF calculations, for which the tetracycline-RBD complex exhibits the lowest free energy profile along the dissociation pathway from ACE2. Tetracycline binds to tyrosine and glycine residues on the viral contact interface that are known to modulate molecular recognition and bonding affinity. These RBD residues also engage in significant hydrogen bonding with the human receptor ACE2. The ability to preclude cell infection complements the anti-inflammatory and cytokine suppressing capability of tetracycline; this may reduce the duration of ICU stays and mechanical ventilation induced by the coronavirus SARS-CoV-2.


Assuntos
Enzima de Conversão de Angiotensina 2/antagonistas & inibidores , Antivirais/farmacologia , Tratamento Farmacológico da COVID-19 , Receptores Virais/antagonistas & inibidores , Tetraciclina/farmacologia , COVID-19/patologia , Cloroquina/farmacologia , Doxiciclina/farmacologia , Gentamicinas/farmacologia , Humanos , Simulação de Acoplamento Molecular , Simulação de Dinâmica Molecular , Ligação Proteica/efeitos dos fármacos , Domínios Proteicos , SARS-CoV-2/efeitos dos fármacos , Glicoproteína da Espícula de Coronavírus/metabolismo
8.
Am J Physiol Gastrointest Liver Physiol ; 320(5): G780-G790, 2021 05 01.
Artigo em Inglês | MEDLINE | ID: mdl-33655760

RESUMO

In this study, we quantify the work done by the esophagus to open the esophagogastric junction (EGJ) and create a passage for bolus flow into the stomach. Work done on the EGJ was computed using functional lumen imaging probe (FLIP) panometry. Eighty-five individuals underwent FLIP panometry with a 16-cm catheter during sedated endoscopy including asymptomatic controls (n = 14), 45 patients with achalasia (n = 15 each, three subtypes), those with gastroesophageal reflux disease (GERD; n = 13), those with eosinophilic esophagitis (EoE; n = 8), and those with systemic sclerosis (SSc; n = 5). Luminal cross-sectional area (CSA) and pressure were measured by the FLIP catheter positioned across the EGJ. Work done on the EGJ (EGJW) was computed (millijoules, mJ) at 40-mL distension. Additionally, a separate method was developed to estimate the "work required" to fully open the EGJ (EGJROW) when it did not open during the procedure. EGJW for controls had a median [interquartile range (IQR)] value of 75 (56-141) mJ. All achalasia subtypes showed low EGJW compared with controls (P < 0.001). Subjects with GERD and EoE had EGJW 54.1 (6.9-96.3) and 65.9 (10.8-102.3) mJ, similar to controls (P < 0.08 and P < 0.4, respectively). The scleroderma group showed low values of EGJW, 12 mJ (P < 0.001). For patients with achalasia, EGJROW was the greatest and had a value of 210.4 (115.2-375.4) mJ. Disease groups with minimal or absent EGJ opening showed low values of EGJW. For patients with achalasia, EGJROW significantly exceeded EGJW values of all other groups, highlighting its unique pathophysiology. Balancing the relationship between EGJW and EGJROW is potentially useful for calibrating achalasia treatments and evaluating treatment response.NEW & NOTEWORTHY Changes in pressure and diameter occur at the EGJ during esophageal emptying. Similar changes can be observed during FLIP panometry. Data from healthy and diseased individuals were used to estimate the mechanical work done on the EGJ during distension-induced relaxation or, in instances of failed opening, work required to open the EGJ. Quantifying these parameters is potentially valuable to calibrate treatments and gauge treatment efficacy for subjects with disorders of EGJ function, especially achalasia.


Assuntos
Esofagite Eosinofílica/fisiopatologia , Acalasia Esofágica/fisiopatologia , Junção Esofagogástrica/fisiopatologia , Esôfago/fisiopatologia , Esvaziamento Gástrico/fisiologia , Refluxo Gastroesofágico/fisiopatologia , Adulto , Idoso , Feminino , Humanos , Masculino , Manometria , Pessoa de Meia-Idade , Adulto Jovem
9.
Am J Physiol Gastrointest Liver Physiol ; 320(2): G217-G226, 2021 02 01.
Artigo em Inglês | MEDLINE | ID: mdl-33174457

RESUMO

The goal of this study was to conceptualize and compute measures of "mechanical work" done by the esophagus using data generated during functional lumen imaging probe (FLIP) panometry and compare work done during secondary peristalsis among patients and controls. Eighty-five individuals were evaluated with a 16-cm FLIP during sedated endoscopy, including asymptomatic controls (n = 14) and those with achalasia subtypes I, II, and III (n = 15, each); gastroesophageal reflux disease (GERD; n = 13); eosinophilic esophagitis (EoE; n = 9); and systemic sclerosis (SSc; n = 5). The FLIP catheter was positioned to have its distal segment straddling the esophagogastric junction (EGJ) during stepwise distension. Two metrics of work were assessed: "active work" (during bag volumes ≤ 40 mL where contractility generates substantial changes in lumen area) and "work capacity" (for bag volumes ≥ 60 mL when contractility cannot substantially alter the lumen area). Controls showed median [interquartile range (IQR)] of 7.3 (3.6-9.2) mJ of active work and 268.6 (225.2-332.3) mJ of work capacity. Patients with all achalasia subtypes, GERD, and SSc showed lower active work done than controls (P ≤ 0.003). Patients with achalasia subtypes I and II, GERD, and SSc had lower work capacity compared with controls (P < 0.001, 0.004, 0.04, and 0.001, respectively). Work capacity was similar between controls and patients with achalasia type III and EoE. Mechanical work of the esophagus differs between healthy controls and patient groups with achalasia, EoE, SSc, and GERD. Further studies are needed to fully explore the utility of this approach, but these work metrics would be valuable for device design (artificial esophagus), to measure the efficacy of peristalsis, to gauge the physiological state of the esophagus, and to comment on its pumping effectiveness.NEW & NOTEWORTHY Functional lumen imaging probe (FLIP) panometry assesses esophageal response to distension and provides a simultaneous assessment of pressure and dimension during contractility. This enables an objective assessment of "mechanical work" done by the esophagus. Eighty-five individuals were evaluated, and two work metrics were computed for each subject. Controls showed greater values of work compared with individuals with achalasia, gastroesophageal reflux disease (GERD), and systemic sclerosis (SSc). These values can quantify the mechanical behavior of the distal esophagus and assist in the estimation of muscular integrity.


Assuntos
Acalasia Esofágica/fisiopatologia , Esôfago/inervação , Esôfago/fisiopatologia , Refluxo Gastroesofágico/fisiopatologia , Peristaltismo/fisiologia , Escleroderma Sistêmico/fisiopatologia , Adulto , Idoso , Estudos de Casos e Controles , Esôfago/diagnóstico por imagem , Feminino , Humanos , Processamento de Imagem Assistida por Computador , Masculino , Pessoa de Meia-Idade , Pressão
10.
J Biomech Eng ; 143(7)2021 07 01.
Artigo em Inglês | MEDLINE | ID: mdl-33625493

RESUMO

Balloon dilation catheters are often used to quantify the physiological state of peristaltic activity in tubular organs and comment on their ability to propel fluid which is important for healthy human function. To fully understand this system's behavior, we analyzed the effect of a solitary peristaltic wave on a fluid-filled elastic tube with closed ends. A reduced order model that predicts the resulting tube wall deformations, flow velocities, and pressure variations is presented. This simplified model is compared with detailed fluid-structure three-dimensional (3D) immersed boundary (IB) simulations of peristaltic pumping in tube walls made of hyperelastic material. The major dynamics observed in the 3D simulations were also displayed by our one-dimensional (1D) model under laminar flow conditions. Using the 1D model, several pumping regimes were investigated and presented in the form of a regime map that summarizes the system's response for a range of physiological conditions. Finally, the amount of work done during a peristaltic event in this configuration was defined and quantified. The variation of elastic energy and work done during pumping was found to have a unique signature for each regime. An extension of the 1D model is applied to enhance patient data collected by the device and find the work done for a typical esophageal peristaltic wave. This detailed characterization of the system's behavior aids in better interpreting the clinical data obtained from dilation catheters. Additionally, the pumping capacity of the esophagus can be quantified for comparative studies between disease groups.


Assuntos
Peristaltismo
11.
Artigo em Inglês | MEDLINE | ID: mdl-32483394

RESUMO

The immersed boundary method is a mathematical framework for modeling fluid-structure interaction. This formulation describes the momentum, viscosity, and incompressibility of the fluid-structure system in Eulerian form, and it uses Lagrangian coordinates to describe the structural deformations, stresses, and resultant forces. Integral transforms with Dirac delta function kernels connect the Eulerian and Lagrangian frames. The fluid and the structure are both typically treated as incompressible materials. Upon discretization, however, the incompressibility of the structure is only maintained approximately. To obtain an immersed method for incompressible hyperelastic structures that is robust under large structural deformations, we introduce a volumetric energy in the solid region that stabilizes the formulation and improves the accuracy of the numerical scheme. This formulation augments the discrete Lagrange multiplier for the incompressibility constraint, thereby improving the original method's accuracy. This volumetric energy is incorporated by decomposing the strain energy into isochoric and dilatational components, as in standard solid mechanics formulations of nearly incompressible elasticity. We study the performance of the stabilized method using several quasi-static solid mechanics benchmarks, a dynamic fluid-structure interaction benchmark, and a detailed three-dimensional model of esophageal transport. The accuracy achieved by the stabilized immersed formulation is comparable to that of a stabilized finite element method for incompressible elasticity using similar numbers of structural degrees of freedom.

12.
Soft Matter ; 15(34): 6779-6783, 2019 Aug 28.
Artigo em Inglês | MEDLINE | ID: mdl-31342045

RESUMO

Fog collection is a promising solution to the worldwide water scarcity problem and is also of vital importance to industrial processes, such as recapturing water in cooling towers and mist elimination. To date, numerous studies have investigated the fog collection rate, a parameter that denotes the average performance over a long period of time. However, the initial period (referred to as onset time) between the start of the fog-laden flow and the actual collection of the captured liquid (a delay in time caused by droplet growth to a critical weight that exceeds droplet-surface retention force) has not been systematically understood. A longer onset time may result in a more serious clogging issue that deteriorates the collection rate and, hence, understanding this phenomenon is important. Here, we study how the onset time is determined by the capture and transport of fog using individual, vertical wires with various surface wettabilities and diameters, under different wind speeds. This approach allows us to derive a scaling law that correlates the onset time with the fog capture process and droplet-surface retention force, governed by aerodynamics and interfacial phenomena, respectively. In particular, the onset time decreases with an increasing rate of fog capture or a decreasing droplet-surface retention force. This study introduces an important aspect in the evaluation of fog collection and provides insights for the optimal design of fog collectors and mist eliminators.

13.
PLoS Biol ; 13(4): e1002123, 2015 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-25919026

RESUMO

Examples of animals evolving similar traits despite the absence of that trait in the last common ancestor, such as the wing and camera-type lens eye in vertebrates and invertebrates, are called cases of convergent evolution. Instances of convergent evolution of locomotory patterns that quantitatively agree with the mechanically optimal solution are very rare. Here, we show that, with respect to a very diverse group of aquatic animals, a mechanically optimal method of swimming with elongated fins has evolved independently at least eight times in both vertebrate and invertebrate swimmers across three different phyla. Specifically, if we take the length of an undulation along an animal's fin during swimming and divide it by the mean amplitude of undulations along the fin length, the result is consistently around twenty. We call this value the optimal specific wavelength (OSW). We show that the OSW maximizes the force generated by the body, which also maximizes swimming speed. We hypothesize a mechanical basis for this optimality and suggest reasons for its repeated emergence through evolution.


Assuntos
Evolução Biológica , Invertebrados/fisiologia , Natação , Vertebrados/fisiologia , Água , Animais , Fenômenos Biomecânicos
14.
Nature ; 489(7415): 274-7, 2012 Sep 13.
Artigo em Inglês | MEDLINE | ID: mdl-22972299

RESUMO

In 1756, Leidenfrost observed that water drops skittered on a sufficiently hot skillet, owing to levitation by an evaporative vapour film. Such films are stable only when the hot surface is above a critical temperature, and are a central phenomenon in boiling. In this so-called Leidenfrost regime, the low thermal conductivity of the vapour layer inhibits heat transfer between the hot surface and the liquid. When the temperature of the cooling surface drops below the critical temperature, the vapour film collapses and the system enters a nucleate-boiling regime, which can result in vapour explosions that are particularly detrimental in certain contexts, such as in nuclear power plants. The presence of these vapour films can also reduce liquid-solid drag. Here we show how vapour film collapse can be completely suppressed at textured superhydrophobic surfaces. At a smooth hydrophobic surface, the vapour film still collapses on cooling, albeit at a reduced critical temperature, and the system switches explosively to nucleate boiling. In contrast, at textured, superhydrophobic surfaces, the vapour layer gradually relaxes until the surface is completely cooled, without exhibiting a nucleate-boiling phase. This result demonstrates that topological texture on superhydrophobic materials is critical in stabilizing the vapour layer and thus in controlling--by heat transfer--the liquid-gas phase transition at hot surfaces. This concept can potentially be applied to control other phase transitions, such as ice or frost formation, and to the design of low-drag surfaces at which the vapour phase is stabilized in the grooves of textures without heating.

15.
Langmuir ; 33(11): 2911-2919, 2017 03 21.
Artigo em Inglês | MEDLINE | ID: mdl-28186772

RESUMO

Superhydrophobic surfaces submerged in liquids are susceptible to permanently becoming wet. This is especially true when the ambient liquid is pressurized or undersaturated with air. To gain insight into the thermodynamics of restoring underwater superhydrophobicity, nucleation theory is applied to the design of spontaneously dewetting conical pores. It is found that, for intrinsically hydrophobic materials, there is a geometric constraint for which reversible superhydrophobic behavior may occur. Molecular dynamics simulations are implemented to support the theory, and steered molecular dynamics simulations are used to investigate the energy landscape of the dewetting process. The results of this work have implications for the efficacy of underwater superhydrophobicity and enhanced nucleation sites for boiling heat transfer.

16.
J Chem Phys ; 147(24): 244103, 2017 Dec 28.
Artigo em Inglês | MEDLINE | ID: mdl-29289140

RESUMO

We introduce methods for large-scale Brownian Dynamics (BD) simulation of many rigid particles of arbitrary shape suspended in a fluctuating fluid. Our method adds Brownian motion to the rigid multiblob method [F. Balboa Usabiaga et al., Commun. Appl. Math. Comput. Sci. 11(2), 217-296 (2016)] at a cost comparable to the cost of deterministic simulations. We demonstrate that we can efficiently generate deterministic and random displacements for many particles using preconditioned Krylov iterative methods, if kernel methods to efficiently compute the action of the Rotne-Prager-Yamakawa (RPY) mobility matrix and its "square" root are available for the given boundary conditions. These kernel operations can be computed with near linear scaling for periodic domains using the positively split Ewald method. Here we study particles partially confined by gravity above a no-slip bottom wall using a graphical processing unit implementation of the mobility matrix-vector product, combined with a preconditioned Lanczos iteration for generating Brownian displacements. We address a major challenge in large-scale BD simulations, capturing the stochastic drift term that arises because of the configuration-dependent mobility. Unlike the widely used Fixman midpoint scheme, our methods utilize random finite differences and do not require the solution of resistance problems or the computation of the action of the inverse square root of the RPY mobility matrix. We construct two temporal schemes which are viable for large-scale simulations, an Euler-Maruyama traction scheme and a trapezoidal slip scheme, which minimize the number of mobility problems to be solved per time step while capturing the required stochastic drift terms. We validate and compare these schemes numerically by modeling suspensions of boomerang-shaped particles sedimented near a bottom wall. Using the trapezoidal scheme, we investigate the steady-state active motion in dense suspensions of confined microrollers, whose height above the wall is set by a combination of thermal noise and active flows. We find the existence of two populations of active particles, slower ones closer to the bottom and faster ones above them, and demonstrate that our method provides quantitative accuracy even with relatively coarse resolutions of the particle geometry.

17.
Proc Natl Acad Sci U S A ; 111(21): 7517-21, 2014 May 27.
Artigo em Inglês | MEDLINE | ID: mdl-24821764

RESUMO

Which animals use their energy better during movement? One metric to answer this question is the energy cost per unit distance per unit weight. Prior data show that this metric decreases with mass, which is considered to imply that massive animals are more efficient. Although useful, this metric also implies that two dynamically equivalent animals of different sizes will not be considered equally efficient. We resolve this longstanding issue by first determining the scaling of energy cost per unit distance traveled. The scale is found to be M(2/3) or M(1/2), where M is the animal mass. Second, we introduce an energy-consumption coefficient (CE) defined as energy per unit distance traveled divided by this scale. CE is a measure of efficiency of swimming and flying, analogous to how drag coefficient quantifies aerodynamic drag on vehicles. Derivation of the energy-cost scale reveals that the assumption that undulatory swimmers spend energy to overcome drag in the direction of swimming is inappropriate. We derive allometric scalings that capture trends in data of swimming and flying animals over 10-20 orders of magnitude by mass. The energy-consumption coefficient reveals that swimmers beyond a critical mass, and most fliers are almost equally efficient as if they are dynamically equivalent; increasingly massive animals are not more efficient according to the proposed metric. Distinct allometric scalings are discovered for large and small swimmers. Flying animals are found to require relatively more energy compared with swimmers.


Assuntos
Metabolismo Energético/fisiologia , Voo Animal/fisiologia , Modelos Biológicos , Movimento/fisiologia , Natação/fisiologia , Animais , Fenômenos Biomecânicos , Peso Corporal , Especificidade da Espécie
18.
Langmuir ; 32(27): 7023-8, 2016 07 12.
Artigo em Inglês | MEDLINE | ID: mdl-27276525

RESUMO

Rough surfaces submerged in a liquid can remain almost dry if the liquid does not fully wet the roughness, and gases are sustained in roughness grooves. Such partially dry surfaces can help reduce drag, enhance boiling, and reduce biofouling. Gases sustained in roughness grooves would be composed of air and the vapor phase of the liquid itself. In this work, the thermodynamics of sustaining gases (e.g., air) is considered. Governing equations are presented along with a solution methodology to determine a critical condition to sustain gases. The critical roughness scale to sustain gases is estimated for different degrees of saturation of gases dissolved in the liquid. It is shown that roughness spacings of less than a micron are essential to sustain gases on surfaces submerged in water at atmospheric pressure. This is consistent with prior empirical data.

19.
Langmuir ; 32(48): 12947-12953, 2016 12 06.
Artigo em Inglês | MEDLINE | ID: mdl-27802595

RESUMO

During pool boiling of water, it is advantageous to keep liquid touching the surface in order to delay the onset of filmwise boiling. This allows water to remain in the nucleate boiling regime, leading to increased heat transfer. In this work, we propose a mechanism to sustain superheated liquid within hydrophilic pores. This mechanism for the design of superwetting hydrophilic surfaces does not rely on the transport of vapor and offers an additional pathway for wetting via the condensation of vapor within the surface texture. We adapt nucleation theory to design the surface geometry and implement molecular dynamics simulations to verify this concept. Simulation results are consistent with theory and demonstrate superheated liquid residing within the surface texture.

20.
Am J Physiol Gastrointest Liver Physiol ; 309(4): G238-47, 2015 Aug 15.
Artigo em Inglês | MEDLINE | ID: mdl-26113296

RESUMO

On the basis of a fully coupled active musculomechanical model for esophageal transport, we aimed to find the roles of circular muscle (CM) contraction and longitudinal muscle (LM) shortening in esophageal transport, and the influence of their coordination. Two groups of studies were conducted using a computational model. In the first group, bolus transport with only CM contraction, only LM shortening, or both was simulated. Overall features and detailed information on pressure and the cross-sectional area (CSA) of mucosal and the two muscle layers were analyzed. In the second group, bolus transport with varying delay in CM contraction or LM shortening was simulated. The effect of delay on esophageal transport was studied. For cases showing abnormal transport, pressure and CSA were further analyzed. CM contraction by itself was sufficient to transport bolus, but LM shortening by itself was not. CM contraction decreased the CSA and the radius of the muscle layer locally, but LM shortening increased the CSA. Synchronized CM contraction and LM shortening led to overlapping of muscle CSA and pressure peaks. Advancing LM shortening adversely influenced bolus transport, whereas lagging LM shortening was irrelevant to bolus transport. In conclusion, CM contraction generates high squeezing pressure, which plays a primary role in esophageal transport. LM shortening increases muscle CSA, which helps to strengthen CM contraction. Advancing LM shortening decreases esophageal distensibility in the bolus region. Lagging LM shortening no longer helps esophageal transport. Synchronized CM contraction and LM shortening seems to be most effective for esophageal transport.


Assuntos
Esfíncter Esofágico Inferior/fisiologia , Esfíncter Esofágico Superior/fisiologia , Esôfago/fisiologia , Motilidade Gastrointestinal , Modelos Biológicos , Contração Muscular , Animais , Suínos
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