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Articles 1 - 30 of 73
Full-Text Articles in Engineering
Laparoscopic Devices And Methods Of Using, M. Susan Hallbeck, Jakeb Riggle, Adam De Laveaga, Jake Kaufman
Laparoscopic Devices And Methods Of Using, M. Susan Hallbeck, Jakeb Riggle, Adam De Laveaga, Jake Kaufman
Department of Mechanical and Materials Engineering: Faculty Publications
A number of improvements to laparoscopic devices are described herein, primarily to improve the ergonomic functionality of the devices. For example, an articulating rod system is described, a gripping mechanism is described, and an end effector is described
Evaluation Of The Mass Transfer Effect Of The Stalk Contraction-Relaxation Cycle Of Vorticella Convallaria, Jiazhong Zhou
Evaluation Of The Mass Transfer Effect Of The Stalk Contraction-Relaxation Cycle Of Vorticella Convallaria, Jiazhong Zhou
Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research
Vorticella convallaria is a genus of protozoa living in fresh water. It has a bell-shaped zooid equipped with adoral ciliary bands and a contractile stalk tethering the zooid to a substrate. Vorticella is regarded as a biological spring because its contractile stalk can pull the zooid towards the substrate at a remarkably high speed and then relaxes to its extended state much more slowly. However, reasons for Vorticella’s stalk contraction are still unknown. It is presumed that the flow field induced by the contraction-relaxation cycle of Vorticella would augment mass transfer effect near the substrate. We investigated this hypothesis …
Control Of Responses Of Smart Plate Structures Under Non-Stationary Random Excitations, Xiaojian Yang
Control Of Responses Of Smart Plate Structures Under Non-Stationary Random Excitations, Xiaojian Yang
Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research
This thesis is concerned with an investigation of the control of responses of plate structures with piezoelectric layers and under complicated excitations modeled as a non-stationary random process. The plate structures and piezoelectric layers are both discretized by the mixed formulation finite element method (FEM).
The investigation consists of three parts. The first part is a literature survey and theoretical development. The second part is the eigenvalue solution and computation of uncontrolled response statistics of laminated plate structures under nonstationary random excitations. The final part is the introduction and application of the stochastic central difference (SCD) method that was presented …
Heat Transfer Enhancement And Applications Of Femtosecond Laser Processed Metallic Surfaces, Corey M. Kruse
Heat Transfer Enhancement And Applications Of Femtosecond Laser Processed Metallic Surfaces, Corey M. Kruse
Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research
In the present work, functionalized 304 stainless steel metallic surfaces were created with the use of a Femtosecond Laser Surface Processing (FLSP) technique. The laser processing technique produces self-organized micro/nanostructures on the surface. The heat transfer performance of various FLSP functionalized surfaces were characterized through pool boiling and Leidenfrost experiments. Enhancement in both the nucleate and film boiling heat transfer were observed through an increase of the critical heat flux and heat transfer coefficient as well as shifts in the Leidenfrost temperature respectively. For both experiments, a polished reference sample was used as a baseline line to compare against the …
Two-Dimensional Scalar Differential Equations For Transversely Varying Thickness Modes In Piezoelectric Plates And Applications In Acoustic Wave Resonator Sensors, Huijing He
Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research
Generalizations are made for three types of well-known and widely used twodimensional scalar differential equations in the literature describing transversely varying thickness modes in piezoelectric plate resonators. They are for singly-rotated quartz plates, doubly-rotated quartz plates, and plates of crystals of class 6mm with the c-axis along the plate thickness, respectively. The purpose of the generalizations is to include the effects of surface mechanical loads such as mass layers or fluids for resonator -based acoustic wave sensor applications. Surface acoustic impedance is introduced to take into account various surface loads in a general manner for time-harmonic motions. Both unelectroded and …
Modular And Cooperative Medical Devices And Related Systems And Methods, Shane M. Farritor, Mark Rentschler, Amy Lehman
Modular And Cooperative Medical Devices And Related Systems And Methods, Shane M. Farritor, Mark Rentschler, Amy Lehman
Department of Mechanical and Materials Engineering: Faculty Publications
The various embodiments disclosed herein relate to modular medical devices, including various devices with detachable modular components and various devices with pivotally attached modular components. Additional embodiments relate to procedures in which various of the devices are used cooperatively. Certain embodiments of the medical devices are robotic in vivo devices.
Assessment Of Noise-Induced Annoyance By Tones In Noise From Building Mechanical Systems, Joonhee Lee, Lily M. Wang
Assessment Of Noise-Induced Annoyance By Tones In Noise From Building Mechanical Systems, Joonhee Lee, Lily M. Wang
Durham School of Architectural Engineering and Construction: Faculty Publications
Prominent tones in noise generated by mechanical equipment in buildings can cause complaints from occupants in buildings. The ISO 1996-2 and ANSI S1.13 standards describe methodologies and metrics to quantify tonality perception, but the influence of tones in noise on human annoyance and performance is not fully understood yet. This paper investigates annoyance responses of humans while exposed to background noise with tonal components. Twenty participants completed digit span tasks while exposed to noise signals with differing levels of tones and overall loudness. Subjects were also asked to rate their annoyance after completing tasks under each noise signal. The subjective …
Effects Of Room Acoustics On Comprehension Of Foreign-Accented Speech By Native And Non-Native English-Speaking Listeners, Zhao Peng, Kristin E. Hanna, Brenna N. Boyd, Lily M. Wang
Effects Of Room Acoustics On Comprehension Of Foreign-Accented Speech By Native And Non-Native English-Speaking Listeners, Zhao Peng, Kristin E. Hanna, Brenna N. Boyd, Lily M. Wang
Durham School of Architectural Engineering and Construction: Faculty Publications
In a previous study by the authors, reverberation time (RT) and background noise level (BNL) were both found to have negative effects on native and non-native English-speaking listeners in comprehending English speech produced by native American-English-speaking talkers. Comprehension scores were adjusted for listeners’ baseline English proficiency levels. In the present study, instead of native English-speaking talkers, two native Mandarin Chinese talkers (one male, one female) with similar English spoken proficiency were recruited to produce the same speech materials used in the previous study. A similar methodology was adopted to conduct speech comprehension tests on three groups of listeners: 1) native …
The Impact Of Building Acoustics On Speech Comprehension And Student Achievement, Lily M. Wang
The Impact Of Building Acoustics On Speech Comprehension And Student Achievement, Lily M. Wang
Durham School of Architectural Engineering and Construction: Faculty Publications
The movement for improved classroom acoustics has primarily been grounded on studies that show how building acoustics (i.e. background noise levels and room reverberation) affect speech intelligibility, as determined by speech recognition tests. What about actual student learning, though? If students do not understand each spoken word in the classroom perfectly, can they still manage to achieve high scholastic success? This presentation will review two recent studies conducted at the University of Nebraska – Lincoln, linking classroom acoustic conditions to student learning outcomes and speech comprehension (rather than simply recognition). In the first, acoustic measurements in two public school districts …
Agricultural Industry Advanced Vehicle Technology: Benchmark Study For Reduction In Petroleum Use, Roger M. Hoy, Rodney Rohrer, Adam Liska, Joe D. Luck, Loren Isom, Deepak R. Keshwani
Agricultural Industry Advanced Vehicle Technology: Benchmark Study For Reduction In Petroleum Use, Roger M. Hoy, Rodney Rohrer, Adam Liska, Joe D. Luck, Loren Isom, Deepak R. Keshwani
Adam Liska Papers
Diesel use on farms in the United States has remained relatively constant since 1985, decreasing slightly in 2009, which may be attributed to price increases and the economic recession (Figure 1). During this time, the United States’ harvested area also has remained relatively constant at roughly 300 million acres. In 2010, farm diesel use was 5.4% of the total United States diesel use. Crops accounting for an estimated 65% of United States farm diesel use include corn, soybean, wheat, hay, and alfalfa, respectively, based on harvested crop area and a recent analysis of estimated fuel use by crop (Figure 2).1 …
Implementation And Validation Of Aortic Remodeling In Hypertensive Rats, Shijia Zhao, Linxia Gu
Implementation And Validation Of Aortic Remodeling In Hypertensive Rats, Shijia Zhao, Linxia Gu
Department of Mechanical and Materials Engineering: Faculty Publications
A computational framework was implemented and validated to better understand the hypertensive artery remodeling in both geometric dimensions and material properties. Integrating the stress-modulated remodeling equations into commercial finite element codes allows a better control and visualization of local mechanical parameters. Both arterial thickening and stiffening effects were captured and visualized. An adaptive material remodeling strategy combined with the element birth and death techniques for the geometrical growth were implemented. The numerically predicted remodeling results in terms of the wall thickness, inner diameter, and the ratio of elastin to collagen content of the artery were compared with and fine-tuned by …
Fluid Powered Miniature In-Vivo Robots For Minimally Invasive Surgery (Mis), Abolfazl Pourghodrat
Fluid Powered Miniature In-Vivo Robots For Minimally Invasive Surgery (Mis), Abolfazl Pourghodrat
Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research
Minimizing the invasiveness of surgery is believed to improve patient outcomes. Bleeding, infection, and pain are major concerns in surgery afflicting patients for decades. Minimally invasive techniques have come into play to reduce these concerns and smooth the evolution of abdominal surgery to a scarless process where nearly all surgeries can be performed without a skin incision. Technology continually advances the frontier of development of novel surgical devices to implement less invasive surgical techniques.
Fusion of robotics and Minimally Invasive Surgery (MIS) has created new opportunities to develop diagnostic and therapeutic tools. Surgical robotics is advancing from externally actuated systems …
Increased Span Length For The Mgs Long-Span Guardrail System, Nicholas A. Weiland
Increased Span Length For The Mgs Long-Span Guardrail System, Nicholas A. Weiland
Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research
Long-span guardrail systems have been recognized as an effective means of shielding low-fill culverts while minimizing construction efforts and limiting culvert damage and repair. The current MGS long-span design provided the capability to span unsupported lengths up to 25 ft (7.6 m) without the use of nested guardrail. The excellent performance of the MGS long-span system in full-scale crash tests suggested that longer span lengths may be possible with the current design.
A detailed analysis of the MGS long-span guardrail system was performed using the finite element software program LS-DYNA®. It was shown that the MGS long-span design …
Understanding The Effects Of Blast Wave On The Intracranial Pressure And Traumatic Brain Injury In Rodents And Humans Using Experimental Shock Tube And Numerical Simulations, Aravind Sundaramurthy
Understanding The Effects Of Blast Wave On The Intracranial Pressure And Traumatic Brain Injury In Rodents And Humans Using Experimental Shock Tube And Numerical Simulations, Aravind Sundaramurthy
Department of Engineering Mechanics: Dissertations, Theses, and Student Research
Blast induced neurotrauma (BINT) has been designated as the “signature injury” to warfighters in the recent military conflicts. In the past decade, conflicts in Iraq (operation Iraqi freedom) and Afghanistan (operation enduring freedom) as well as the increasing burden of the terrorism around the world resulted in an increased number of cases with blast Traumatic Brain Injury (bTBI). Recently, a lot of research has been done to study the neurological and neurochemical degenerations resulting from BINT using animal models especially rat models. However, it is not clear how and whether the biological outcomes from animal models can be translated to …
Experimental And Numerical Investigation Of The Mechanism Of Blast Wave Transmission Through A Surrogate Head, Yi Hua, Praveen Akula, Linxia Gu, Jeff Berg, Carl A. Nelson
Experimental And Numerical Investigation Of The Mechanism Of Blast Wave Transmission Through A Surrogate Head, Yi Hua, Praveen Akula, Linxia Gu, Jeff Berg, Carl A. Nelson
Department of Mechanical and Materials Engineering: Faculty Publications
This work is to develop an experiment-validated numerical model to elucidate the wave transmission mechanisms through a surrogate head under blast loading. Repeated shock tube tests were conducted on a surrogate head, i.e., water-filled polycarbonate shell. Surface strain on the skull simulant and pressure inside the brain simulant were recorded at multiple locations. A numerical model was developed to capture the shock wave propagation within the shock tube and the fluid-structure interaction between the shock wave and the surrogate head. The obtained numerical results were compared with the experimental measurements. The experiment-validated numerical model was then used to further understand …
Determining Annoyance Thresholds Of Tones In Noise, Jennifer M. Francis, Joonhee Lee, Lily M. Wang
Determining Annoyance Thresholds Of Tones In Noise, Jennifer M. Francis, Joonhee Lee, Lily M. Wang
Durham School of Architectural Engineering and Construction: Faculty Publications
Building services equipment often produces noise signatures with significant tones in them that can lead to complaints in the built environment. Previous studies have investigated prominence levels of assorted tonal frequencies, but it is still unclear what prominence of the tones across varying tonal frequencies can lead to human annoyance. This project seeks to apply two different methods towards defining annoyance thresholds of tones in noise at two tonal frequencies: 125 Hz and 500 Hz. In the first, subjects are asked to perform a task, while exposed to ten minutes of a broadband noise spectrum with a specific level of …
Fluid Flow-Induced Mesenchymal Stem Cell Migration: Role Of Fak And Rock Mechanosensors, Brandon D. Riehl
Fluid Flow-Induced Mesenchymal Stem Cell Migration: Role Of Fak And Rock Mechanosensors, Brandon D. Riehl
Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research
The study of mesenchymal stem cell (MSC) migration under mechanical stimulation conditions with investigation of the underlying molecular mechanism could lead to a better understanding and outcomes in stem cell-based regenerative medicine. MSCs having multipotent regenerative capability exist in niches in the bone marrow, muscle, vasculature, and in other tissues throughout the body, and their migration through tissues and vasculature for the repair of damaged tissue is a key process of cell and tissue homeostasis, remodeling, and regeneration. While cell migration in response to cytokines and other chemo-attractants is relatively well understood, little is revealed in regard to the effect …
Design And Assembly Of Parabolic Flight Payload To Evaluate Miniature In Vivo Surgical Robots In Microgravity, Kearney M. Lackas
Design And Assembly Of Parabolic Flight Payload To Evaluate Miniature In Vivo Surgical Robots In Microgravity, Kearney M. Lackas
Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research
Laparoscopic surgery, also known as minimally invasive surgery (MIS), changed the face of surgery in the 1990s. With these procedures, surgeons use long, slender tools which pass through several small incisions. Performing surgery in this fashion has shown many benefits including reduced pain and recovery times, lower costs, and less scarring post-recovery.
The use of surgical robotics has shown several key advantages over MIS techniques. Minimally invasive surgeries typically require unnatural movements, have limited visibility, greatly reduce dexterity, and provide little tactile feedback. Through robot kinematics and specialized sensors, surgical robots can resolve many of these limitations, especially in terms …
Application Of Limited Mixing In The Hele-Shaw Geometry In Fabrication Of Janus Hydrogels, Md Mahmudur Rahman
Application Of Limited Mixing In The Hele-Shaw Geometry In Fabrication Of Janus Hydrogels, Md Mahmudur Rahman
Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research
It is widely accepted that cells behave differently responding to the stiffness of their extracellular matrix (ECM). Such observations were made by culturing cells on hydrogel substrates of tunable stiffness. However, it was recently proposed that cells may sense how strongly they are tethered to ECM, not the local stiffness of ECM. To investigate both hypotheses, we developed a method to fabricate Janus polyacrylamide (PAAM) gels. We squeeze two drops of different concentrations in the Hele-Shaw geometry to generate radial Stokes flow. When the drops coalesce, limited mixing occurs at the interface due to the narrow confinement, and diffusion normal …
Nuts & Bolts, Volume 2, Issue 2, Lance Todd, Julie Thomson, Louis Leviticus
Nuts & Bolts, Volume 2, Issue 2, Lance Todd, Julie Thomson, Louis Leviticus
Friends of the Larsen Tractor Museum
Museum Open House is a Success
The Passing of Museum Volunteer Larry Ehlers
Larsen Museum to Auction Twelve Tractors
Details an Estate Planning and Memorial Designation
Towards A Sustainable Modular Robot System For Planetary Exploration, S. G. M. Hossain
Towards A Sustainable Modular Robot System For Planetary Exploration, S. G. M. Hossain
Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research
This thesis investigates multiple perspectives of developing an unmanned robotic system suited for planetary terrains. In this case, the unmanned system consists of unit-modular robots. This type of robot has potential to be developed and maintained as a sustainable multi-robot system while located far from direct human intervention. Some characteristics that make this possible are: the cooperation, communication and connectivity among the robot modules, flexibility of individual robot modules, capability of self-healing in the case of a failed module and the ability to generate multiple gaits by means of reconfiguration. To demonstrate the effects of high flexibility of an individual …
Passive Biaxial Mechanical Properties And In Vivo Axial Pre-Stretch Of The Diseased Human Femoropopliteal And Tibial Arteries, Alexey Kamenskiy, Iraklis I. Pipinos, Yuris A. Dzenis, Clay Lomneth, Syed A. Jaffar Kazmi, Nicholas Y. Phillips, Jason N. Mactaggart
Passive Biaxial Mechanical Properties And In Vivo Axial Pre-Stretch Of The Diseased Human Femoropopliteal And Tibial Arteries, Alexey Kamenskiy, Iraklis I. Pipinos, Yuris A. Dzenis, Clay Lomneth, Syed A. Jaffar Kazmi, Nicholas Y. Phillips, Jason N. Mactaggart
Department of Mechanical and Materials Engineering: Faculty Publications
Surgical and interventional therapies for atherosclerotic lesions of the infrainguinal arteries are notorious for high rates of failure. Frequently, this leads to expensive reinterventions, return of disabling symptoms, or limb loss. Interaction between the artery and repair material likely plays an important role in reconstruction failure, but data describing the mechanical properties and functional characteristics of human femoropopliteal and tibial arteries are currently not available. Diseased superficial femoral (SFA, n=10), popliteal (PA, n=8), and tibial arteries (TA, n=3) from 10 patients with critical limb ischemia were tested to determine passive mechanical properties using planar biaxial extension. All …
Methods, Systems, And Devices For Surgical Access And Inserton, Tom Frederick, Shane Farritor, Jack Mondry, Eric Markvicka, Dmitry Oleynikov, Jacob Greenburg
Methods, Systems, And Devices For Surgical Access And Inserton, Tom Frederick, Shane Farritor, Jack Mondry, Eric Markvicka, Dmitry Oleynikov, Jacob Greenburg
Department of Mechanical and Materials Engineering: Faculty Publications
The various embodiments herein relate to systems, devices, and/or methods relating to Surgical procedures, and more specifically for accessing an insufflated cavity of a patient and/or positioning Surgical systems or devices into the cavity.
Systemand Method For Controlling Motion Of Spacecrafts, Piyush Grover, Christian Andersson
Systemand Method For Controlling Motion Of Spacecrafts, Piyush Grover, Christian Andersson
Department of Mechanical and Materials Engineering: Faculty Publications
A motion of an object is controlled from a geostationary transit orbit (GTO) of an earth to an orbit of a moon. A first trajectory of the motion of the object is determined from an intermediate orbit of an earth to a neighborhood of a stable manifold of a first Lagrange point (L1). A second trajectory of the motion of the object is determined from the GTO to the intermediate orbit. A third trajectory of the motion of the object is determined from the neighborhood to the stable manifold to an L1 orbit, and a fourth trajectory of the motion …
Bike Braking Vibration Modelling And Measurement, Rob Redfield
Bike Braking Vibration Modelling And Measurement, Rob Redfield
U.S. Air Force Research
Modern bicycle disk-brake systems often induce vibration and noise in bike components such as brake rotors, wheels, and even bike frames. When the vibration or noise are excessive, brake performance can be perceived as unsatisfactory. Previous research incorporating bike frame structural dynamics and brake friction modeling has shown that stick-slip friction is likely the cause of much of this vibration and noise. Bicycle design parameters such as brake friction behavior and bike component structural properties are central in producing and/or sustaining these vibrations. The predicted dynamics of these models has correlated reasonably well with the testing of braking systems. This …
Arising Applications Of Ferroelectric Materials In Photovoltaic Devices, Yongbo Yuan, Zhengguo Xiao, Bin Yang, Jinsong Huang
Arising Applications Of Ferroelectric Materials In Photovoltaic Devices, Yongbo Yuan, Zhengguo Xiao, Bin Yang, Jinsong Huang
Department of Mechanical and Materials Engineering: Faculty Publications
The ferroelectric-photovoltaic (FE-PV) device, in which a homogeneous ferroelectric material is used as a light absorbing layer, has been investigated during the past several decades with numerous ferroelectric oxides. The FE-PV effect is distinctly different from the typical photovoltaic (PV) effect in semiconductor p–n junctions in that the polarization electric field is the driving force for the photocurrent in FE-PV devices. In addition, the anomalous photovoltaic effect, in which the voltage output along the polarization direction can be significantly larger than the bandgap of the ferroelectric materials, has been frequently observed in FE-PV devices. However, a big challenge faced by …
Biomechanical Strain As A Trigger For Pore Formation In Schlemm’S Canal Endothelial Cells, Sietse T. Braakman, Ryan M. Pedrigi, A. Thomas Read, James A. E. Smith, W. Daniel Stamer, C. Ross Ethier, Darryl R. Overby
Biomechanical Strain As A Trigger For Pore Formation In Schlemm’S Canal Endothelial Cells, Sietse T. Braakman, Ryan M. Pedrigi, A. Thomas Read, James A. E. Smith, W. Daniel Stamer, C. Ross Ethier, Darryl R. Overby
Department of Mechanical and Materials Engineering: Faculty Publications
The bulk of aqueous humor passing through the conventional outflow pathway must cross the inner wall endothelium of Schlemm’s canal (SC), likely through micron-sized transendothelial pores. SC pore density is reduced in glaucoma, possibly contributing to obstructed aqueous humor outflow and elevated intraocular pressure (IOP). Little is known about the mechanisms of pore formation; however, pores are often observed near dome-like cellular outpouchings known as giant vacuoles (GVs) where significant biomechanical strain acts on SC cells. We hypothesize that biomechanical strain triggers pore formation in SC cells. To test this hypothesis, primary human SC cells were isolated from three non-glaucomatous …
Quality And Safety Of Minimally Invasive Surgery: Past, Present, And Future, Bernadette Mccrory, Chad A. Lagrange, M. S. Hallbeck
Quality And Safety Of Minimally Invasive Surgery: Past, Present, And Future, Bernadette Mccrory, Chad A. Lagrange, M. S. Hallbeck
Department of Mechanical and Materials Engineering: Faculty Publications
Adverse events because of medical errors are a leading cause of death in the United States (US) exceeding the mortality rates of motor vehicle accidents, breast cancer, and AIDS. Improvements can and should be made to reduce the rates of preventable surgical errors because they account for nearly half of all adverse events within hospitals. Although minimally invasive surgery (MIS) has proven patient benefits such as reduced postoperative pain and hospital stay, its operative environment imposes substantial physical and cognitive strain on the surgeon increasing the risk of error. To mitigate errors and protect patients, a multidisciplinary approach is needed …
Dynamic Fracture Analysis Of Polycarbonate By The Optical Method Of Caustics, Guiyun Gao, Zheng Li, Mehrdad Negahban
Dynamic Fracture Analysis Of Polycarbonate By The Optical Method Of Caustics, Guiyun Gao, Zheng Li, Mehrdad Negahban
Department of Mechanical and Materials Engineering: Faculty Publications
Glassy polycarbonate (PC) is a widely used engineering material in industries, since it has high strength and toughness as well as good transparency. However, these advantages of PC can be suppressed by physical aging, especially its dynamic fracture toughness. In addition, the material properties of PC can be changed dramatically after large plastic compressive deformation, and it can show obvious orthotropic behavior. Here, the combined effect of aging and plastic compressive deformation on dynamic facture of PC was investigated by the optical method of caustics. The dynamic reflective method of caustics for orthotropic materials was developed here to study the …
Extracting Continuum-Like Deformation And Stress From Molecular Dynamics Simulations, Lili Zhang, John Jasa, George Gazonas, Antoine Jerusalem, Mehrdad Negahban
Extracting Continuum-Like Deformation And Stress From Molecular Dynamics Simulations, Lili Zhang, John Jasa, George Gazonas, Antoine Jerusalem, Mehrdad Negahban
Department of Mechanical and Materials Engineering: Faculty Publications
We present methods that use results from molecular dynamics (MD) simulations to construct continuum parameters, such as deformation gradient and Cauchy stress, from all or any part of an MD system. These parameters are based on the idea of minimizing the difference between MD measures for deformation and traction and their continuum counterparts. The procedures should be applicable to non-equilibrium and inhomogeneous systems, and to any part of a system, such as a polymer chain. The resulting procedures provide methods to obtain first and higher order deformation gradients associated with any subset of the MD system, and associated expressions for …