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At least 973 records · Page 54

All sources NASA NTRS DOE OSTI

NASA NTRS1995

Multithreaded Model for Dynamic Load Balancing Parallel Adaptive PDE Computations

We present a multithreaded model for the dynamic load-balancing of numerical, adaptive computations required for the solution of Partial Differential Equations (PDE's) on multiprocessors. Multithreading is used as a means of exploring concurrency in the processor level in order to tolerate synchronization costs inherent to traditional (non-threaded) parallel adaptive PDE solvers. Our preliminary analysis for parallel, adaptive PDE solvers indicates that multithreading can be used an a mechanism to mask overheads required for the dynamic balancing of processor workloads with computations required for the actual numerical solution of the PDE's. Also, multithreading can simplify the implementation of dynamic load-balancing algorithms, a task that is very difficult for traditional data parallel adaptive PDE computations. Unfortunately, multithreading does not always simplify program complexity, often makes code re-usability not an easy task, and increases software complexity.

Chrisochoides, Nikos↗

NASA NTRS1998

CFD Modelling of Bore Erosion in Two-Stage Light Gas Guns

A well-validated quasi-one-dimensional computational fluid dynamics (CFD) code for the analysis of the internal ballistics of two-stage light gas guns is modified to explicitly calculate the ablation of steel from the gun bore and the incorporation of the ablated wall material into the hydrogen working cas. The modified code is used to model 45 shots made with the NASA Ames 0.5 inch light gas gun over an extremely wide variety of gun operating conditions. Good agreement is found between the experimental and theoretical piston velocities (maximum errors of +/-2% to +/-6%) and maximum powder pressures (maximum errors of +/-10% with good igniters). Overall, the agreement between the experimental and numerically calculated gun erosion values (within a factor of 2) was judged to be reasonably good, considering the complexity of the processes modelled. Experimental muzzle velocities agree very well (maximum errors of 0.5-0.7 km/sec) with theoretical muzzle velocities calculated with loading of the hydrogen gas with the ablated barrel wall material. Comparison of results for pump tube volumes of 100%, 60% and 40% of an initial benchmark value show that, at the higher muzzle velocities, operation at 40% pump tube volume produces much lower hydrogen loading and gun erosion and substantially lower maximum pressures in the gun. Large muzzle velocity gains (2.4-5.4 km/sec) are predicted upon driving the gun harder (that is, upon using, higher powder loads and/or lower hydrogen fill pressures) when hydrogen loading is neglected; much smaller muzzle velocity gains (1.1-2.2 km/sec) are predicted when hydrogen loading is taken into account. These smaller predicted velocity gains agree well with those achieved in practice. CFD snapshots of the hydrogen mass fraction, density and pressure of the in-bore medium are presented for a very erosive shot.

Bogdanoff, D. W.↗

NASA NTRS2002

Aeroheating Thermal Analysis Methods for Aerobraking Mars Missions

Mars missions often employ aerobraking upon arrival at Mars as a low-mass method to gradually reduce the orbit period from a high-altitude, highly elliptical insertion orbit to the final science orbit. Two recent missions that made use of aerobraking were Mars Global Surveyor (MGS) and Mars Odyssey. Both spacecraft had solar arrays as the main aerobraking surface area. Aerobraking produces a high heat load on the solar arrays, which have a large surface area exposed to the airflow and relatively low mass. To accurately model the complex behavior during aerobraking, the thermal analysis must be tightly coupled to the flight mechanics, aerodynamics, and atmospheric modeling efforts being performed during operations. To properly represent the temperatures prior to and during the drag pass, the model must include the orbital solar and planetary heat fluxes. The correlation of the thermal model to flight data allows a validation of the modeling process, as well as information on what processes dominate the thermal behavior. This paper describes the thermal modeling method that was developed for this purpose, as well as correlation for two flight missions, and a discussion of improvements to the methodology.

Amundsen, Ruth M.↗

NASA NTRS2001

Hormonal modulation of food intake in response to low leptin levels induced by hypergravity

A loss in fat mass is a common response to centrifugation and it results in low circulating leptin concentrations. However, rats adapted to hypergravity are euphagic. The focus of this study was to examine leptin and other peripheral signals of energy balance in the presence of a hypergravity-induced loss of fat mass and euphagia. Male Sprague-Dawley rats were centrifuged for 14 days at gravity levels of 1.25, 1.5, or 2 G, or they remained stationary at 1 G. Urinary catecholamines, urinary corticosterone, food intake, and body mass were measured on Days 11 to 14. Plasma hormones and epididymal fat pad mass were measured on Day 14. Mean body mass of the 1.25, 1.5, and 2 G groups were significantly (P < 0.05) lower than controls, and no differences were found in food intake (g/day/100 g body mass) between the hypergravity groups and controls. Epididymal fat mass was 14%, 14%, and 21% lower than controls in the 1.25, 1.5, and 2.0 G groups, respectively. Plasma leptin was significantly reduced from controls by 46%, 45%, and 65% in the 1.25, 1.5, and 2 G groups, respectively. Plasma insulin was significantly lower in the 1.25, 1.5, and 2.0 G groups than controls by 35%, 38%, and 33%. No differences were found between controls and hypergravity groups in urinary corticosterone. Mean urinary epinephrine was significantly higher in the 1.5 and 2.0 G groups than in controls. Mean urinary norepinephrine was significantly higher in the 1.25, 1.5 and 2.0 G groups than in controls. Significant correlations were found between G load and body mass, fat mass, leptin, urinary epinephrine, and norepinephrine. During hypergravity exposure, maintenance of food intake is the result of a complex relationship between multiple pathways, which abates the importance of leptin as a primary signal.

NASA Discipline Regulatory Physiology↗

NASA NTRS2011

Experimental Investigation and Fundamental Understanding of a Slowed UH-60A Rotor at High Advance Ratios

This paper describes and analyzes the measurements from a full-scale, slowed RPM, UH-60A rotor tested at the National Full-Scale Aerodynamics Complex 40- by 80- ft wind tunnel up to an advance ratio of 1.0. A comprehensive set of measurements, that includes performance, blade loads, hub loads and pressures/airloads makes this data set unique. The measurements reveal new and rich aeromechanical phenomena that are special to this exotic regime. These include reverse chord dynamic stall, retreating side impulse in pitch-link load, large inboard-outboard elastic twist differential, supersonic flow at low subsonic advancing tip Mach numbers, diminishing rotor forces yet dramatic build up of blade loads, and dramatic blade loads yet benign levels of vibratory hub loads. The objective of this research is the fundamental understanding of these unique aeromechanical phenomena. The intent is to provide useful knowledge for the design of high speed, high efficiency, slowed RPM rotors of the future and a challenging database for advanced analyses validation.

Datta, Anubhav↗

NASA NTRS2016

Development of a Subcell Based Modeling Approach for Modeling the Architecturally Dependent Impact Response of Triaxially Braided Polymer Matrix Composites

Understanding the high velocity impact response of polymer matrix composites with complex architectures is critical to many aerospace applications, including engine fan blade containment systems where the structure must be able to completely contain fan blades in the event of a blade-out. Despite the benefits offered by these materials, the complex nature of textile composites presents a significant challenge for the prediction of deformation and damage under both quasi-static and impact loading conditions. The relatively large mesoscale repeating unit cell (in comparison to the size of structural components) causes the material to behave like a structure rather than a homogeneous material. Impact experiments conducted at NASA Glenn Research Center have shown the damage patterns to be a function of the underlying material architecture. Traditional computational techniques that involve modeling these materials using smeared homogeneous, orthotropic material properties at the macroscale result in simulated damage patterns that are a function of the structural geometry, but not the material architecture. In order to preserve heterogeneity at the highest length scale in a robust yet computationally efficient manner, and capture the architecturally dependent damage patterns, a previously-developed subcell modeling approach where the braided composite unit cell is approximated as a series of four adjacent laminated composites is utilized. This work discusses the implementation of the subcell methodology into the commercial transient dynamic finite element code LS-DYNA (Livermore Software Technology Corp.). Verification and validation studies are also presented, including simulation of the tensile response of straight-sided and notched quasi-static coupons composed of a T700/PR520 triaxially braided [0deg/60deg/-60deg] composite. Based on the results of the verification and validation studies, advantages and limitations of the methodology as well as plans for future work are discussed.

finite element method↗

NASA NTRS2015

Magnetotail dynamics at Mars: Initial MAVEN observations

We report on the complex nature of the induced Martian magnetotail using simultaneous magnetic field and plasma measurements from the Mars Atmosphere and Volatile EvolutioN (MAVEN) spacecraft. Two case studies are analyzed from which we identify (1) repetitive loading and unloading of tail magnetic flux as the field magnitude changes dramatically, exhibiting signatures similar to substorm activity within intrinsic magnetospheres; (2) multiple current sheet crossings indicative of plasma sheet flapping; (3) tailward flowing high-energy planetary ions (O+ and O2+), confined exclusively to the cross-tail current sheet, contributing to atmospheric escape; and (4) signatures of magnetic flux ropes, suggesting the occurrence of tail reconnection. These events illustrate the complexity of the Martian magnetotail as MAVEN provides key observations relevant to the unanswered questions of induced magnetosphere dynamics.

Gina A Dibraccio↗

DOE OSTI2024

Scaling Up: Demonstrating Risk Reduction and Cost Compression for Commercial Heat Pump Water Heaters - CRADA 625 (Abstract)

Commercial heat pump water heater (CHPWH) systems significantly decarbonize the commercial and multifamily sectors by eliminating the reliance on gas-fired water heating. CHPWH systems are also well suited to include load shift controls that enable load-up and shed commands for supporting grid reliability and time-of-use pricing structure. However, they have not had wide adoption due to factors including price, complexity, and perceived risk. Although CHPWHs have been available in the US for decades, they have not made significant market gains in part because the systems have required significant and costly engineering design expertise and proved lackluster performance. Successful widespread market adoption requires a different approach; a shift from the current custom specialized expertise project design and installation to a repeatable approach that requires little specialized knowledge or expertise and can deliver persistent performance. Using this type of holistic systems approach requires effectively integrating four CHPWH system key components: primary air-to-water heat pumps; primary thermal storage tanks, a temperature maintenance system, and a control system which has capabilities to manage the primary heat pump cycles, any back-up, supplemental, or temperature maintenance heating, alarms, and grid connectivity allowing for demand response (DR), and/or load shifting. The project team has developed and will implement a suite of tools to support faster, less expensive, and more reliable field installations of CHPWH technology and with the resulting data used to further improve the tool set. These tools include: (1) A tool for optimizing system size and costs. (2) A tool that predicts annual energy use and overall system efficiency. (3) The Advanced Water Heater Specification (AWHS 8.0) defining the components of a full CHPWH system addressing performance requirements by climate zone. (4) The Qualified Products List: (QPL) of approved products that meet the specifications requirements. (5) Training materials including online on-demand modules, instructor-led training, and virtual interactive video tours of CHPWH installations in multifamily buildings. Demonstration site identification in low-income buildings in underserved communities is currently underway. Preliminarily, the team anticipates having three demonstrations in the Pacific Northwest and three in the Northeast for a total of six sites. After the demonstration sites are finalized, and M&V instrumentation installations are complete, the team will gather performance data and confirm whether the CHPWH systems perform as predicted and use the data to improve the existing tools.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Fundamental Investigations into the Properties and Performance of Advanced Materials

Intelligent engineering designs require an accurate understanding of material behavior, since any uncertainties or gaps in knowledge must be counterbalanced with heightened factors of safety, leading to overdesign. Therefore, building better structures and pushing the performance of new components requires an improved understanding of the thermomechanical response of advanced materials under service conditions. This dissertation provides fundamental investigations of several advanced materials: thermoset polymers, a common matrix material for fiber-reinforced composites and nanocomposites; aluminum alloy 7075-T6 (AA7075-T6), a high-performance aerospace material; and ceramic matrix composites (CMCs), an advanced composite for extreme-temperature applications. To understand matrix interactions with various interfaces and nanoinclusions at their fundamental scale, the properties of thermoset polymers are studied at the atomistic scale. An improved proximity-based molecular dynamics (MD) technique for modeling the crosslinking of thermoset polymers is carefully established, enabling realistic curing simulations through its ability to dynamically and probabilistically perform complex topology transformations. The proximity-based MD curing methodology is then used to explore damage initiation and the local anisotropic evolution of mechanical properties in thermoset polymers under uniaxial tension with an emphasis on changes in stiffness through a series of tensile loading, unloading, and reloading experiments. Aluminum alloys in aerospace applications often require a fatigue life of over 109 cycles, which is well over ii the number of cycles that can be practically tested using conventional fatigue testing equipment. In order to study these high-life regimes, a detailed ultrasonic cycle fatigue study is presented for AA7075-T6 under fully reversed tension-compression loading. The geometric sensitivity, frequency effects, size effects, surface roughness effects, and the corresponding failure mechanisms for ultrasonic fatigue across different fatigue regimes are investigated. Finally, because CMCs are utilized in extreme environments, oxidation plays an important role in their degradation. A multiphysics modeling methodology is thus developed to address the complex coupling between oxidation, mechanical stress, and oxygen diffusion in heterogeneous carbon fiber-reinforced CMC microstructures.

Schichtel, Jacob J.↗

NASA NTRS1993

Shear and compression buckling analysis for anisotropic panels with centrally located elliptical cutouts

An approximate analysis for buckling of biaxial- and shear-loaded anisotropic panels with centrally located elliptical cutouts is presented in the present paper. The analysis is composed of two parts, a prebuckling analysis and a buckling analysis. The prebuckling solution is determined using Lekhnitskii's complex variable equations of plane elastostatics combined with a Laurent series approximation and a boundary collocation method. The buckling solution is obtained using the principle of minimum potential energy. A by-product of the minimum potential energy equation is an integral equation which is solved using Gaussian quadrature. Comparisons with documented experimental results and finite element analyses indicate that the approximate analysis accurately predicts the buckling loads of square biaxial- and shear-loaded panels having elliptical cutouts with major axes up to sixty percent of the panel width. Results of a parametric study are presented for shear- and compression-loaded rectangular anisotropic panels with elliptical cutouts. The effects of panel aspect ratio, cutout shape, cutout size, cutout orientation, laminate anisotropy, and combined loading on the buckling load are examined.

Britt, V. O.↗

DOE OSTI2025

Chromium enhances the mechanical performance of 3d transition metal high entropy alloys

A comprehensive examination of the compositional effects on the deformation behavior of high entropy alloys (HEAs) was conducted through nanoindentation, indentation creep, and stress relaxation experiments at ambient temperature. The alloys investigated included NiCoFe, NiCoCr, NiCoCrFe, and NiCoCrFeMn, all of which underwent identical thermomechanical processing. From the experimental results, NiCoCr exhibited the highest maximum shear stress for dislocation nucleation (13 GPa) and nanoindentation hardness (3.8 GPa) among the alloys tested. It also showed the lowest stress sensitivity (0.02) and activation volume (3–4 b 3 ) under creep and stress relaxation conditions, indicative of its superior plastic flow properties. Density functional theory (DFT) calculations further revealed an uneven charge density and larger bonding-length variation in NiCoCr due to the presence of Cr, which increased lattice distortion, impeding dislocation movement. Furthermore, in this study, post-deformation microscopy using transmission electron microscopy (TEM) revealed a high density of stacking faults and twins in NiCoCr that effectively enhanced its creep strength. The results highlight the significance of specific elemental effects, particularly from Cr in this study, over configurational entropy effect (i.e., compositional complexity) in governing the deformation microstructure and mechanical properties of HEAs. Finally, these insights will be instrumental for the design and optimization of advanced alloys for load-bearing applications.

36 - MATERIALS SCIENCE↗

NASA NTRS2008

Software Performs Complex Design Analysis

Designers use computational fluid dynamics (CFD) to gain greater understanding of the fluid flow phenomena involved in components being designed. They also use finite element analysis (FEA) as a tool to help gain greater understanding of the structural response of components to loads, stresses and strains, and the prediction of failure modes. Automated CFD and FEA engineering design has centered on shape optimization, which has been hindered by two major problems: 1) inadequate shape parameterization algorithms, and 2) inadequate algorithms for CFD and FEA grid modification. Working with software engineers at Stennis Space Center, a NASA commercial partner, Optimal Solutions Software LLC, was able to utilize its revolutionary, one-of-a-kind arbitrary shape deformation (ASD) capability-a major advancement in solving these two aforementioned problems-to optimize the shapes of complex pipe components that transport highly sensitive fluids. The ASD technology solves the problem of inadequate shape parameterization algorithms by allowing the CFD designers to freely create their own shape parameters, therefore eliminating the restriction of only being able to use the computer-aided design (CAD) parameters. The problem of inadequate algorithms for CFD grid modification is solved by the fact that the new software performs a smooth volumetric deformation. This eliminates the extremely costly process of having to remesh the grid for every shape change desired. The program can perform a design change in a markedly reduced amount of time, a process that would traditionally involve the designer returning to the CAD model to reshape and then remesh the shapes, something that has been known to take hours, days-even weeks or months-depending upon the size of the model.

Source record↗

NASA NTRS1991

Structural load control during construction

In the absence of gravitational pull, the major design considerations for large space structures are stiffness for controllability, and transient dynamic loadings (as opposed to the traditional static load associated with earth-based structures). Because of the absence of gravitational loading, space structures can be designed to be significantly lighter than their counterparts on Earth. For example, the Space Shuttle manipulator arm is capable of moving and positioning a 60,000 lb payload, yet weighs less than 1,000 lbs. A recent design for the Space Station which had a total weight of about 500,000 lbs. used a primary loadcarrying keel beam which weighed less than 10,000 lbs. For many large space structures designs it is quite common for the load-carrying structure to have a mass fraction on the order of one or two percent of the total spacecraft mass. This significant weight reduction for large space structures is commonly accompanied by very low natural frequencies. These low frequencies cause an unprecedented level of operational complexity for mission applications which require a high level of positioning and control accuracy. This control problem is currently the subject of considerable research directed towards reducing the flexibility problem. In addition, however, the small mass fraction typically results in structures which are quite unforgiving to inadvertent high loadings. In other words, the structures are 'fragile.' In order to deal with the fragility issue CSC developed a load-limiting concept for space truss structures. This concept is aimed at limiting the levels of load which can occur in a large space structure during the construction process as well as during subsequent operations. Currently, the approach for dealing with large loadings is to make the structure larger. The impact this has on construction is significant. The larger structures are more difficult to package in the launch vehicle, and in fact in some instances the concept must be changed from a deployable truss to an erectable truss to permit packaging. The new load-limiting concept is aimed at permitting the use in large space structures of smaller trusses with a high level of strength robustness, in order to simplify the construction process. To date several analyses conducted on the concept have demonstrated its feasibility, and an experiment is currently being designed to demonstrate its operation.

Mikulas, Martin M., Jr.↗

NASA NTRS2011

Comprehensive Forced Response Analysis of J2X Turbine Bladed-Discs with 360 Degree Variation in CFD Loading

The temporal frequency content of the dynamic pressure predicted by a 360 degree computational fluid dynamics (CFD) analysis of a turbine flow field provides indicators of forcing function excitation frequencies (e.g., multiples of blade pass frequency) for turbine components. For the Pratt and Whitney Rocketdyne J-2X engine turbopumps, Campbell diagrams generated using these forcing function frequencies and the results of NASTRAN modal analyses show a number of components with modes in the engine operating range. As a consequence, forced response and static analyses are required for the prediction of combined stress, high cycle fatigue safety factors (HCFSF). Cyclically symmetric structural models have been used to analyze turbine vane and blade rows, not only in modal analyses, but also in forced response and static analyses. Due to the tortuous flow pattern in the turbine, dynamic pressure loading is not cyclically symmetric. Furthermore, CFD analyses predict dynamic pressure waves caused by adjacent and non-adjacent blade/vane rows upstream and downstream of the row analyzed. A MATLAB script has been written to calculate displacements due to the complex cyclically asymmetric dynamic pressure components predicted by CFD analysis, for all grids in a blade/vane row, at a chosen turbopump running speed. The MATLAB displacements are then read into NASTRAN, and dynamic stresses are calculated, including an adjustment for possible mistuning. In a cyclically symmetric NASTRAN static analysis, static stresses due to centrifugal, thermal, and pressure loading at the mode running speed are calculated. MATLAB is used to generate the HCFSF at each grid in the blade/vane row. When compared to an approach assuming cyclic symmetry in the dynamic flow field, the current approach provides better assurance that the worst case safety factor has been identified. An extended example for a J-2X turbopump component is provided.

Elrod, David↗

DOE OSTI2021

Flexible 3D printed silicones for gamma and neutron radiation shielding

Here, resin formulations for direct ink write (DIW) additive manufacturing (AM) were developed for facile customization to shield radiation signatures consisting of a range of gamma radiation and neutron energies in a variety of applications. The resin developed in this work has been formulated to accommodate very high loadings of shielding filler materials: up to 40 wt% bismuth (Bi) metal for gamma radiation shielding, and up to 60 wt% boron-10 ( 10 B) metal for neutron shielding. We report the first instance of a printable resin containing 60 wt% 10 B, which remains flexible after curing despite the high solids content. We demonstrate that these resins can not only tolerate formulation modulation for radiation profile-matched shielding, but they can also be printed in a variety of geometries such that mechanical properties of the printed shield are readily tuned to specific applications. In contrast, most existing shielding materials are rigid, bulky, and do not allow for the complex shapes and mechanical flexibility needed in high-usage applications. This work demonstrates the successful development of a tunable resin for additively manufactured, flexible radiation shielding material, containing high loadings of shielding filler, which can be utilized in harsh radiation environments associated with nuclear materials.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2021

A History of Hanford Tank Waste, Implications for Waste Treatment and Disposal

More than 40 years of plutonium processing have left almost 56 million gallons of mixed radioactive waste sequestered in 177 underground tanks on the Hanford Site. Three different processing technologies were employed for plutonium purification in addition to uranium scavenging and fission product removal from the tank waste. All of these chemical processes have contributed to a complex waste stream that varies from tank to tank that presents downstream processing challenges to render the waste into a safe form for long-term storage. The current disposition pathway for Hanford tank waste is vitrification. To maximize waste loading and minimize the number of high-level waste canisters stored in a geologic repository, pretreatment of the waste is required. Both pretreatment and vitrification operations are impacted by the waste composition.

Separations, filtration, ion exchange↗

DOE OSTI2024

Efficient Modeling of Floating Wind Arrays Including Current Loads and Seabed Bathymetry

Capabilities for modeling the effects of seabed bathymetry and current drag loads on a floating wind farm are now available in an open-source model for quasi-static analysis. In this model, mooring lines and dynamic cables are represented by a quasi-static solver that can quickly represent complex mooring/cabling arrangements and arrays of floating bodies. To account for seabed bathymetry, we expand the model to include a surface mesh that captures changes in water depth over a rectangular grid. We formulate modifications to the catenary equations that capture a mooring line's profile and tensions when contacting a slope seabed. To account for current drag loads on mooring lines and dynamic cables, we formulate a novel technique that rotates the reference frame so that the vector sum of the the weight and the current force are used in the catenary equations, while accounting for the seabed orientation. To complete the system, current drag loads on floating substructures are handled by inclusion of strip-theory drag calculations. These new capabilities are verified by comparing with results from the established offshore dynamics models MoorDyn and OrcaFlex in equivalent steady-state scenarios. The results show very good agreement for both sloped seabeds and current loads. With computation times of the quasi-static model typically under one second, the model additions are a useful capability toward rapidly evaluating a floating wind array's response to environmental loads under realistic site conditions.

bathymetry↗

DOE OSTI2021

Protein Motifs for Proton Transfers That Build the Transmembrane Proton Gradient

Biological membranes are barriers to polar molecules, so membrane embedded proteins control the transfers between cellular compartments. Protein controlled transport moves substrates and activates cellular signaling cascades. In addition, the electrochemical gradient across mitochondrial, bacterial and chloroplast membranes, is a key source of stored cellular energy. This is generated by electron, proton and ion transfers through proteins. The gradient is used to fuel ATP synthesis and to drive active transport. Here the mechanisms by which protons move into the buried active sites of Photosystem II (PSII), bacterial RCs (bRCs) and through the proton pumps, Bacteriorhodopsin (bR), Complex I and Cytochrome c oxidase (CcO), are reviewed. These proteins all use water filled proton transfer paths. The proton pumps, that move protons uphill from low to high concentration compartments, also utilize Proton Loading Sites (PLS), that transiently load and unload protons and gates, which block backflow of protons. PLS and gates should be synchronized so PLS proton affinity is high when the gate opens to the side with few protons and low when the path is open to the high concentration side. Proton transfer paths in the proteins we describe have different design features. Linear paths are seen with a unique entry and exit and a relatively straight path between them. Alternatively, paths can be complex with a tangle of possible routes. Likewise, PLS can be a single residue that changes protonation state or a cluster of residues with multiple charge and tautomer states.

cytochrome c oxidase↗