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At least 127 records · Page 7

Investigating the Effect of Water on the Mechanical Properties of Cellulose from Multiscale Molecular Dynamics Simulations

Classical molecular dynamics (MD) simulations provide insight into the structure and physicochemical properties of materials with atomic resolution. However, the length and time scales accessible to atomistic MD are orders of magnitude smaller than many relevant processes such as the response of a bulk material to experimentally accessible strain rates, which presents challenges when comparing models to experimental measurements. Bottom-up coarse-graining provides a means for systematically mapping atomistic information to lower resolution models to increase the length and time scales achievable by simulation. Cellulose is an abundant carbohydrate biopolymer with applications to many fields of research, such as materials science and renewable energy, due to its desirable mechanical properties and viability for conversion into biofuel. The effect of moisture content on the Young's modulus of cellulose is of special interest due to its native environment often being in the hydrated secondary plant cell wall and the grinding energy requirements for biomass feedstock preprocessing. The current work investigates the effects of water solvent on the Young's modulus of cellulose calculated from coarse-grained MD mechanical stress simulations. The coarse-grained model was parametrized from atomistic MD calculations of cellulose-cellulose potentials of mean force using umbrella sampling techniques under vacuum and solvated conditions. The Young's moduli of the coarse-grained cellulose assemblies parametrized from cellulose in vacuum or solvated in water were computed via mechanical stress simulations to highlight the importance of capturing solvent interactions for modeling the mechanical behavior of cellulose.

BASIC BIOLOGICAL SCIENCES,RADIATION PROTECTION AND↗

Material and design considerations of encapsulants for photovoltaic arrays in terrestrial applications

Procedures for analyzing cyclic mechanical stresses in encapsulated photovoltaic arrays designed for terrestrial application are discussed. The concept of 'thermal stiffness', the product of alpha and Young's modulus, is presented, and its usefulness for minimizing mechanical stresses is demonstrated. The concept of the 'proportional-limit' helps indicate the upper limit of design stress for plastics. System design is considered with attention to cell dimensions, cell to substrate adhesive, single encapsulant system, double layer encapsulant, and stresses in the interconnects. The permeability of polymeric materials to gases is examined.

Carroll, W.↗

Investigations of Pulmonary Epithelial Cell Damage due to Air-Liquid Interfacial Stresses in a Microgravity Environment

Pulmonary airway closure is a potentially dangerous event that can occur in microgravity environments and may result in limited gas exchange for flight crew during long-term space flight. Repetitive airway collapse and reopening subjects the pulmonary epithelium to large, dynamic, and potentially injurious mechanical stresses. During ventilation at low lung volumes and pressures, airway instability leads to repetitive collapse and reopening. During reopening, air must progress through a collapsed airway, generating stresses on the airway walls, potentially damaging airway tissues. The normal lung can tolerate repetitive collapse and reopening. However, combined with insufficient or dysfunctional pulmonary surfactant, repetitive airway collapse and reopening produces severe lung injury. Particularly at risk is the pulmonary epithelium. As an important regulator of lung function and physiology, the degree of pulmonary epithelial damage influences the course and outcome of lung injury. In this paper we present experimental and computational studies to explore the hypothesis that the mechanical stresses associated with airway reopening inflict injury to the pulmonary epithelium.

Gaver, Donald P., III↗

Composite Overwrap Pressure Vessels: Mechanics and Stress Rupture Lifting Philosophy

The NASA Engineering and Safety Center (NESC) has been conducting an independent technical assessment to address safety concerns related to the known stress rupture failure mode of filament wound pressure vessels in use on Shuttle and the International Space Station. The Shuttle s Kevlar-49 (DuPont) fiber overwrapped tanks are of particular concern due to their long usage and the poorly understood stress rupture process in Kevlar-49 filaments. Existing long term data show that the rupture process is a function of stress, temperature and time. However due to the presence of load sharing liners and the complex manufacturing procedures, the state of actual fiber stress in flight hardware and test articles is not clearly known. Indeed nonconservative life predictions have been made where stress rupture data and lifing procedures have ignored the contribution of the liner in favor of applied pressure as the controlling load parameter. With the aid of analytical and finite element results, this paper examines the fundamental mechanical response of composite overwrapped pressure vessels including the influence of elastic plastic liners and degraded/creeping overwrap properties. Graphical methods are presented describing the non-linear relationship of applied pressure to Kevlar-49 fiber stress/strain during manufacturing, operations and burst loadings. These are applied to experimental measurements made on a variety of vessel systems to demonstrate the correct calibration of fiber stress as a function of pressure. Applying this analysis to the actual qualification burst data for Shuttle flight hardware revealed that the nominal fiber stress at burst was in some cases 23 percent lower than what had previously been used to predict stress rupture life. These results motivate a detailed discussion of the appropriate stress rupture lifing philosophy for COPVs including the correct transference of stress rupture life data between dissimilar vessels and test articles.

Thesken, John C.↗

Composite Overwrap Pressure Vessels: Mechanics and Stress Rupture Lifing Philosophy

The NASA Engineering and Safety Center (NESC) has been conducting an independent technical assessment to address safety concerns related to the known stress rupture failure mode of filament wound pressure vessels in use on Shuttle and the International Space Station. The Shuttle's Kevlar-49 fiber overwrapped tanks are of particular concern due to their long usage and the poorly understood stress rupture process in Kevlar-49 filaments. Existing long term data show that the rupture process is a function of stress, temperature and time. However due to the presence of load sharing liners and the complex manufacturing procedures, the state of actual fiber stress in flight hardware and test articles is not clearly known. Indeed non-conservative life predictions have been made where stress rupture data and lifing procedures have ignored the contribution of the liner in favor of applied pressure as the controlling load parameter. With the aid of analytical and finite element results, this paper examines the fundamental mechanical response of composite overwrapped pressure vessels including the influence of elastic-plastic liners and degraded/creeping overwrap properties. Graphical methods are presented describing the non-linear relationship of applied pressure to Kevlar-49 fiber stress/strain during manufacturing, operations and burst loadings. These are applied to experimental measurements made on a variety of vessel systems to demonstrate the correct calibration of fiber stress as a function of pressure. Applying this analysis to the actual qualification burst data for Shuttle flight hardware revealed that the nominal fiber stress at burst was in some cases 23% lower than what had previously been used to predict stress rupture life. These results motivate a detailed discussion of the appropriate stress rupture lifing philosophy for COPVs including the correct transference of stress rupture life data between dissimilar vessels and test articles.

Thesken, John C.↗

Applied Research and Development to Support Open Water Testing at PacWave – Task 5: Development of additively manufactured, functionally graded, corrosion resistant clads for wave energy applications

In this task, we focused on developing corrosion-resistant claddings for wave energy applications. Wave energy systems are exposed to saline conditions, which are corrosive to many metallic structural materials (e.g., carbon steel). Corrosion-resistant (stainless) steels are typically alloyed with >18% chromium (Cr) and >8% nickel (Ni), which dramatically raises material costs and can hinder the development of wave energy systems; thus, coatings are a necessary corrosion protection method for most. Non-metallic coatings (paint, epoxy) have shorter service lives, limited resistance to mechanical stress and wear, plus additional costs of inspection and eventual replacement. Therefore, overlay stainless steel (SS) claddings have a cost-effective use case for protecting components from corrosion, particularly for those that may be subject to mechanical stress / wear and with long service lives.

16 TIDAL AND WAVE POWER↗

Computational Modeling of Heterogeneity of Stress, Charge, and Cyclic Damage in Composite Electrodes of Li-Ion Batteries

Charge heterogeneity is a prevalent feature in many electrochemical systems. In a commercial cathode of Li-ion batteries, the composite is hierarchically structured across multiple length scales including the sub-micron single-crystal primary-particle domains up to the macroscopic particle ensembles. The redox kinetics of charge transfer and mass transport strongly couples with mechanical stresses. This interplay catalyzes substantial heterogeneity in the charge (re)distribution, stresses, and mechanical damage in the composite electrode during charging and discharging. We assess the heterogeneous electrochemistry and mechanics in a LiNi x Mn y Co z O 2 (NMC) cathode using a fully coupled electro-chemo-mechanics model at the cell level. A microstructure-resolved model is constructed based on the synchrotron X-ray tomography data. We calculate the stress field in the composite and then quantitatively evaluate the kinetics of surface charge transfer and Li transport biased by mechanical stresses. We further model the cyclic behavior of the cell. The repetitive deformation of the active particles and the weakening of the interfacial strength cause gradual increase of the interfacial debonding. The mechanical damage impedes electron transfer, incurs more charge heterogeneity, and results in the capacity degradation in batteries over cycles.

25 ENERGY STORAGE↗

Accelerometer Drift Study

Accelerometers are energy transducers that convert mechanical energy into an electrical signal. That electrical signal is proportional to the amount of mechanical stress the accelerometer was subjected to. Knowing this proportionality allows the electrical signal to be interpreted as an acceleration. There are three types of sensing technologies utilized in capacitors: piezoelectric, piezoresistive and capacitive. In this study, all of the accelerometers utilized are of the piezoelectric type and purchased from one particular vendor, MEGGITT. The piezoelectric effect is the phenomena by which a material generates an electrical charge when subjected to a mechanical stress. A piezoelectric accelerometer will not generate an electrical charge when placed in a static acceleration field because no stress will be placed on the piezoelectric element. However if the acceleration field is dynamic, the piezoelectric element will generate an electrical charge. So the types of accelerations these accelerometers are measuring are dynamic in nature, such as vibrations. Knowledge of dynamic acceleration is useful in characterizing the structural response of some object. The sensitivity of an accelerometer is the ratio of its electrical output to mechanical input. The more sensitive an accelerometer is, the greater the value of the electrical output to a given mechanical input. An accelerometer’s sensitivity is known to drift over time. The objective of this study is to quantify this drift. Questions to answer are: Does the accelerometer become more or less sensitive over time and by how much. This is important to understand because this will establish a time frame of when readings from the accelerometer can be utilized. The larger this time frame is the better because that would preclude the need to purchase accelerometers frequently, which saves on costs. This would further bolster the relationship between MEGGITT and LANL if it is found that MEGGITT produces accelerometers that can be used for a relatively long period of time. This would create less uncertainty in picking a vendor for accelerometers.

42 ENGINEERING↗

Stress- and interface-compatible red phosphorus anode for high-energy and durable sodium-ion batteries

Sodium-ion battery is a promising candidate for energy storage application, but the absence of high-capacity and low-cost anode materials significantly limit their practical specific energy and cost. Red phosphorus (RP) possesses a high theoretical specific capacity but suffers from large volume change, low electronic conductivity and unstable solid-electrolyte interphase (SEI). Herein, a hierarchical micro/nanostructured antimony-doped RP/carbon anode was developed, which demonstrate extraordinary electrochemical performance with high initial Coulombic efficiency of ~90%, high areal (~1.7 mAh cm-2) capacity together with good cycle stability and rate capability. Combined experimental and computational studies consistently revealed that such a unique structural design can dramatically accommodate the mechanical stress and moreover effectively restrain the undesired decomposition of electrolyte solvents regardless of electrolytes formulation, resulting in superior structural integrity and thin/robust SEI formation during cycling. The present finding has offered an alternative strategy for stress management and interface engineering on high-capacity alloying-based anode materials.

Liu, Xiang↗

Variationally consistent Maxwell stress in flexoelectric structures under finite deformation and immersed in free space

Maxwell stress refers to the mechanical stress exerted on a dielectric material due to the presence of electric fields. It plays a significant role in the interaction between a dielectric material and the surrounding free space under finite deformation. Previous research on finite deformation of flexoelectricity mainly adopted a modified form of Maxwell stress, potentially not able to correctly capture some physical phenomena, such as the compression of a dielectric droplet in an electric field. In this work, we propose a consistent and complete variational principle for flexoelectricity, in which the Maxwell stress emerges naturally from the derivation, without introducing additional assumptions. An Isogeometric analysis-based numerical framework is developed accordingly and verified by both linear and nonlinear benchmark cases compared with experimental results. The present framework successfully captures and quantifies the behaviors of conductive liquids and soft dielectric solids subjected to an external electric field. Finally, a novel scenario is investigated in which a flexoelectric beam immersed in free space is analyzed, showing the interesting distribution of Maxwell stress-induced tractions at opposing boundaries. The test demonstrates that a higher dielectric constant can effectively enhance the material's stiffness in response to the external electric loading.

36 MATERIALS SCIENCE↗

Analysis and Optimization of a Multi-Layer Integrated Organic Substrate for High Current GaN HEMT-Based Power Module

In this paper, analysis and optimization of a multi-layer organic substrate for high current GaN HEMT based power module are discussed. The organic multi-layer substrates can provide high electrical performance in terms of low parasitic inductance in the power loop by providing vertical layout, and shielding for reduction of common-mode noise, a common problem in fast switching power converters. Furthermore, high performance cooling solutions, such as micro-channel heat sinks, can be directly bonded to the substrate for optimum thermal management. The structure of the proposed architecture, thermal analysis and optimization of layer thickness, thermo-mechanical stress analysis of the GaN HEMT and development of a high-performance heat sink are discussed.

47 OTHER INSTRUMENTATION↗

Contribution of Spaceflight Environmental Factors to Vision Risks

The risk of visual impairment and elevated intracranial pressure as a result of low-earth orbit microgravity exposure has directed our attention and research efforts to the eye. While the alterations observed in astronauts returning from long duration missions include vision and neuroanatomical changes observed by non-invasive methods, other effects and subsequent tissue responses at the molecular and cellular level can only be studied by accessing the tissue itself. As a result of this need, several studies are currently taking place within the Human and Health Countermeasures Element (HHC) that use animal models for eye research. The rodent eye has many similarities to the human eye, and both rats and mice have historically been used as models of human eye disease, aiding in the identification of the disease genes, elucidation of mechanisms of disease, as well as in the assessment of therapeutic treatments. These studies attempt to answer two central questions in the etiology of possible vision alterations in the environment of space exploration missions. The first is: what effects and response mechanisms take place in the different eye structures at the cellular and molecular level? The second question is directed to elucidate the contribution of the various environmental stressors (radiation, nutrition, fluid shift) to these effects. Collaborative approaches with internal and external investigators have allowed performing these studies in a most cost-effective fashion, providing preliminary data and laying the bases for testing further hypotheses in future and specifically designed animal experiments. From a study centered on the radioadaptive response in mice, we have learned that the retina responds to low and high dose gamma radiation by elevating antioxidant-related genes at early time points (4hrs) and that this response returns to control levels after 1 day post-irradiation. We are expanding this research with another collaborative study that investigates the combined effects of radiation exposure and iron overload on sensitivity to radiation injury in rat eyes. All main eye structures will be analyzed in this study: retina, lens and cornea. A study in collaboration with the Space Human Factors and Habitability Element (SHFH) investigates the effects of lunar dust exposure on the rat cornea. It is anticipated that common underlying oxidative stress mechanisms of damage may be observed as a result of these three stressors: radiation, nutritional iron and lunar dust. The contribution of fluid shift is addressed by a study using rats subjected to hindlimb suspension. The hypothesis to be tested in this study is that the mechanical stress imparted by the pressure differential across the optic disc and lamina cribosa will impact oxygenation (therefore causing oxidative stress and hypoxia) and cell survival. This study also includes the assessment of two nutritional antioxidant countermeasures: epigallocatechin gallate (green tea) and resveratrol. Finally, as a result of two successful tissue sharing efforts, we are proceeding with the analysis of eye samples of mice aboard two shuttle missions: STS-133 and STS-135. Results from the STS-133 study are presented in an independent abstract. Briefly, the results show that spaceflight represents a source of environmental stress that directly translates into oxidative and cellular stress in the retina. Similar analysis is also planned for the cornea. These samples add large value to our current vision research as they provide data on the direct effects of low-earth orbit spaceflight on eye structures and physiology.

Zanello, Susana B.↗

Nontrivial nanostructure, stress relaxation mechanisms, and crystallography for pressure-induced Si-I → Si-II phase transformation

Crystallographic theory based on energy minimization suggests austenite-twinned martensite interfaces with specific orientation, which are confirmed experimentally for various materials. Pressure-induced phase transformation (PT) from semiconducting Si-I to metallic Si-II, due to very large and anisotropic transformation strain, may challenge this theory. Here, unexpected nanostructure evolution during Si-I → Si-II PT is revealed by combining molecular dynamics (MD), crystallographic theory, generalized for strained crystals, and in situ real-time Laue X-ray diffraction (XRD). Twinned Si-II, consisting of two martensitic variants, and unexpected nanobands, consisting of alternating strongly deformed and rotated residual Si-I and third variant of Si-II, form {111} interface with Si-I and produce almost self-accommodated nanostructure despite the large transformation volumetric strain of -0.237. The interfacial bands arrest the {111} interfaces, leading to repeating nucleation-growth-arrest process and to growth by propagating {110} interface, which (as well as {111} interface) do not appear in traditional crystallographic theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗