Molecular Dynamics (MD) simulations are a key tool to understand the mechanism of complex chemica... more Molecular Dynamics (MD) simulations are a key tool to understand the mechanism of complex chemical system and observe their outcomes in different conditions. However, such simulations are computationally expensive, which limits their timescales to the nanoseconds. This limitation is inconsequential at high temperatures, where equilibrium is reached quickly, but it is limiting at low temperatures as the complex system cannot be equilibrated within the timescale of MD simulations. In this article we develop a method to construct kinetic models of hydrocarbon pyrolysis using the information from the high-temperature high-reactivity regime. We then extrapolate this model to low temperatures, which allows for microsecond-long simulations to be performed. It is demonstrated that this approach lead to the accurate prediction of the evolution of small molecules, as well as the size and composition of long carbon chains for a wide range of temperatures and compositions. The temperature range...
Additional file 8: Supplementary Table 7. Associations between RF isotypes and smoking, in anti-C... more Additional file 8: Supplementary Table 7. Associations between RF isotypes and smoking, in anti-CCP2-positive and anti-CCP2-negative RA. Odds ratios with 95% confidence intervals are shown for associations between smoking and presence/absence of IgM, IgG or IgA RF, in anti-CCP2-positive and -negative RA; p-values indicate differences in ORs between RF isotype-positive and -negative subsets.
Additional file 6: Supplementary Table 5. Associations between different autoantibodies and PTPN2... more Additional file 6: Supplementary Table 5. Associations between different autoantibodies and PTPN22 polymorphism, in anti-CCP2-negative RA. Odds ratios with 95% confidence intervals are shown for associations between PTPN22 polymorphism and presence/absence of ACPA, RF, other autoantibodies, or "any autoantibody" in anti-CCP2-negative RA.
Additional file 7: Supplementary Table 6. Associations between different ACPA fine-specificities ... more Additional file 7: Supplementary Table 6. Associations between different ACPA fine-specificities and HLA-DRB1 SE, in anti-CCP2-positive and anti-CCP2-negative RA. Odds ratios with 95% confidence intervals are shown for associations between HLA-DRB1 SE and presence/absence of 19 different ACPA fine-specificities, in anti-CCP2-positive and -negative RA: p-values indicate differences in ORs between ACPA fine-specificity-positive and -negative subsets in the anti-CCP2-positive subset.
Additional file 2: Supplementary Table 2. Other (non-citrullinated) autoantigens on the multiplex... more Additional file 2: Supplementary Table 2. Other (non-citrullinated) autoantigens on the multiplex microarray. The table lists the other antigens used on the multiplex microarray, including name, protein of origin, and major associated disease(s).
Additional file 3: Supplementary Table 3. Baseline characteristics in CCP2-positive and -negative... more Additional file 3: Supplementary Table 3. Baseline characteristics in CCP2-positive and -negative RA. The table show baseline characteristics for the EIRA patients included in the study, based on anti-CCP2 IgG status; p-values indicate differences between subsets with respect to: age, female-to-male ratio, number of smokers, HLA-DRB1 SE-positivity, PTPN22-positivity, DAS28 and CRP.
Additional file 5: Supplementary Table 4. Other autoantibodies in anti-CCP2-positive and -negativ... more Additional file 5: Supplementary Table 4. Other autoantibodies in anti-CCP2-positive and -negative RA and controls. Frequencies of 17 other autoantibodies in anti-CCP2-positive RA, anti-CCP2-negative RA and controls are shown, as well as median antibody levels in anti-CCP2-positive and -negative RA (p-values indicate differences between anti-CCP2-negative and anti-CCP2-positive RA subsets).
Additional file 1: Supplementary Table 1. Citrullinated peptide antigens on the multiplex microar... more Additional file 1: Supplementary Table 1. Citrullinated peptide antigens on the multiplex microarray. The table lists citrullinated antigens used on the multiplex microarray, including name, protein of origin, and amino acid sequence, as well as references.
Supplementary tables and methods. Table S1 Îą-enolase peptide sequences. Table S2 Association bet... more Supplementary tables and methods. Table S1 Îą-enolase peptide sequences. Table S2 Association between PTPN22 polymorphism and RA in subgroups of patients, divided based on the presence/absence of anti-CEP-1 and anti-carb-CEP-1 IgG. (DOCX 22 kb)
Rheumatoid arthritis (RA) is a systemic autoimmune disease that affects approximately 1% of the p... more Rheumatoid arthritis (RA) is a systemic autoimmune disease that affects approximately 1% of the population worldwide. Despite being rather common, the etiopathology of RA remains unclear. Approximately two-thirds of patients have antibodies to citrullinated proteins (ACPAs), generally detected using the 2 generation cyclic citrullinated peptide (CCP2) ELISA. A wealth of evidence implicates ACPA in the etiology of RA: the major risk factors a group of HLA-DRB1 alleles referred to as the shared epitope (SE), and smoking have been described to associate primarily with the ACPA-positive subset of RA. Moreover, ACPAs can be detected years before clinical onset, and their presence are highly predictive of progression to RA. However, the mechanism by which ACPAs might contribute to disease, as well as the definitive in vivo target, is not understood. The aim of this thesis was therefore to better characterize the ACPA response in RA, in terms of antigen specificity, association with geneti...
Alloying has served as a powerful means for tuning the non-vanishing optical bandgap of two-dimen... more Alloying has served as a powerful means for tuning the non-vanishing optical bandgap of two-dimensional (2D) transition-metal dichalcogenides (TMDs), a family of 2D materials with optoelectronic properties covering a wide spectral window ranging from visible to near-infrared. In addition to the bandgap engineering, ‘spatial’ modulation of the composition ratio (i.e., x) in a ternary TMD alloy (e.g., MX2xX2(1-x)’; M: transition metal, X, X’: chalcogens) enables formation of lateral heterostructures with complex functionalities within the plane of 2D materials, a new asset that expands the realm of applications in which 2D materials can be incorporated. Despite several demonstrations of alloying in 2D TMDs, the phenomenologically important issue of strain development and its effect on the optical and structural properties of 2D TMD alloys is still missing. Here, we show that alloying processes induce a biaxial tensile strain that acts on the lattice of 2D TMD alloys and affect their o...
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infra... more The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and ≈25 ML models for material-property predictions in JARVIS-ML, all of which are continuously expanding. JARVIS-tools provides scripts and workflows for running and analyzing various simulations. We compare our computational data to experiments or high-fidelity computational methods wherev...
Electrically conductive metal−organic frameworks (cMOFs) have become a topic of intense interest ... more Electrically conductive metal−organic frameworks (cMOFs) have become a topic of intense interest in recent years because of their great potential in electrochemical energy storage, electrocatalysis, and sensing applications. Most of the cMOFs reported hitherto are 2D structures, and 3D cMOFs remain rare. Herein we report FeTHQ, a 3D cMOF synthesized from tetrahydroxy-1,4-quinone (THQ) and iron(II) sulfate salt. FeTHQ exhibited a conductivity of 3.3 ± 0.55 mS cm −1 at 300 K, which is high for 3D cMOFs. The conductivity of FeTHQ is valence-dependent. A higher conductivity was measured with the as-prepared FeTHQ than with the air-oxidized and sodium naphthalenide-reduced samples.
Background Rheumatoid arthritis (RA) is classified as seropositive or seronegative, depending on ... more Background Rheumatoid arthritis (RA) is classified as seropositive or seronegative, depending on the presence/absence of rheumatoid factor (RF), primarily IgM RF, and/or anti-citrullinated protein antibodies (ACPA), commonly detected using anti-cyclic citrullinated peptide (CCP) assays. Known risk factors associate with the more severe seropositive form of RA; less is known about seronegative RA. Here, we examine risk factors and clinical phenotypes in relation to presence of autoantibodies in the RA subset that is traditionally defined as seronegative. Methods Anti-CCP2 IgG, 19 ACPA fine-specificities, IgM/IgG/IgA RF, anti-carbamylated-protein (CarP) antibodies, and 17 other autoantibodies, were analysed in 2755 RA patients and 370 controls. Antibody prevalence, levels, and co-occurrence were examined, and associations with risk factors and disease activity during 5 years were investigated for different antibody-defined RA subsets. Results Autoantibodies were detected in a substant...
In this work, we present a high-throughput first-principles study of elastic properties of bulk a... more In this work, we present a high-throughput first-principles study of elastic properties of bulk and monolayer materials mainly using the vdW-DF-optB88 functional. We discuss the trends on the elastic response with respect to changes in dimensionality. We identify a relation between exfoliation energy and elastic constants for layered materials that can help to guide the search for vdW bonding in materials. We also predicted a few novel materials with auxetic behavior. The uncertainty in structural and elastic properties due to the inclusion of vdW interactions is discussed. We investigated 11,067 bulk and 257 monolayer materials. Lastly, we found that the trends in elastic constants for bulk and their monolayer counterparts can be very different. All the computational results are made publicly available at easy-to-use websites: https://www.ctcms.nist.gov/~knc6/JVASP.html and https://jarvis.nist.gov/. Our dataset can be used to identify stiff and flexible materials for industrial applications. Introduction: Mechanical properties describe the response of a material to deformation and are important characteristics in describing solids. From an atomistic perspective, elasticity arises from interatomic bonding and bonding environments. The elastic tensor (ET) [1] is a key property for
Ultrathin nanowires with <3 nm diameter have long been sought for novel properties that emerge... more Ultrathin nanowires with <3 nm diameter have long been sought for novel properties that emerge from dimensional constraint as well as for continued size reduction and performance improvement of nanoelectronic devices. Here, we report on a facile and large-scale synthesis of a new class of electrically conductive ultrathin core-shell nanowires using benzenethiols. Core-shell nanowires are atomically precise and have inorganic five-atom copper-sulfur cross-sectional cores encapsulated by organic shells encompassing aromatic substituents with ring planes oriented parallel. The exact nanowire atomic structures were revealed via a two-pronged approach combining computational methods coupled with experimental synthesis and advanced characterizations. Core-shell nanowires were determined to be indirect bandgap materials with a predicted room-temperature resistivity of ∼120 Ω·m. Nanowire morphology was found to be tunable by changing the interwire interactions imparted by the functional ...
The second generation anticycliccitrullinated peptide (anti-CCP2) assay detects the majority but ... more The second generation anticycliccitrullinated peptide (anti-CCP2) assay detects the majority but not all anticitrullinated protein/peptide antibodies (ACPA). Anti-CCP2-positive rheumatoid arthritis (RA) is associated with HLA-DRB1* shared epitope (SE) alleles and smoking. Using a multiplex assay to detect multiple specific ACPA, we have investigated the fine specificity of individual ACPA responses and the biological impact of additional ACPA reactivity among anti-CCP2-negative patients. We investigated 2825 patients with RA and 551 healthy controls with full data on anti-CCP2, HLA-DRB1* alleles and smoking history concerning reactivity against 16 citrullinated peptides and arginine control peptides with a multiplex array. The prevalence of the 16 ACPA specificities ranged from 9% to 58%. When reactivity to arginine peptides was subtracted, the mean diagnostic sensitivity increased by 3.2% with maintained 98% specificity. Of the anti-CCP2-negative patients, 16% were found to be ACPA...
Modulation of weak interlayer interactions between quasi-two-dimensional atomic planes in the tra... more Modulation of weak interlayer interactions between quasi-two-dimensional atomic planes in the transition metal dichalcogenides (TMDCs) provides avenues for tuning their functional properties. Here we show that above-gap optical excitation in the TMDCs leads to an unexpected large-amplitude, ultrafast compressive force between the two-dimensional layers, as probed by in-situ measurements of the atomic layer spacing at femtosecond time resolution. We show that this compressive response arises from a dynamic modulation of the interlayer van der Waals interaction and that this represents the dominant light-induced stress at low excitation densities. A simple analytic model predicts the magnitude and carrier density dependence of the measured strains. This work establishes a new method for dynamic, non-equilibrium tuning of correlation-driven dispersive interactions and of the optomechanical functionality of TMDC quasi-two-dimensional materials.
Molecular Dynamics (MD) simulations are a key tool to understand the mechanism of complex chemica... more Molecular Dynamics (MD) simulations are a key tool to understand the mechanism of complex chemical system and observe their outcomes in different conditions. However, such simulations are computationally expensive, which limits their timescales to the nanoseconds. This limitation is inconsequential at high temperatures, where equilibrium is reached quickly, but it is limiting at low temperatures as the complex system cannot be equilibrated within the timescale of MD simulations. In this article we develop a method to construct kinetic models of hydrocarbon pyrolysis using the information from the high-temperature high-reactivity regime. We then extrapolate this model to low temperatures, which allows for microsecond-long simulations to be performed. It is demonstrated that this approach lead to the accurate prediction of the evolution of small molecules, as well as the size and composition of long carbon chains for a wide range of temperatures and compositions. The temperature range...
Additional file 8: Supplementary Table 7. Associations between RF isotypes and smoking, in anti-C... more Additional file 8: Supplementary Table 7. Associations between RF isotypes and smoking, in anti-CCP2-positive and anti-CCP2-negative RA. Odds ratios with 95% confidence intervals are shown for associations between smoking and presence/absence of IgM, IgG or IgA RF, in anti-CCP2-positive and -negative RA; p-values indicate differences in ORs between RF isotype-positive and -negative subsets.
Additional file 6: Supplementary Table 5. Associations between different autoantibodies and PTPN2... more Additional file 6: Supplementary Table 5. Associations between different autoantibodies and PTPN22 polymorphism, in anti-CCP2-negative RA. Odds ratios with 95% confidence intervals are shown for associations between PTPN22 polymorphism and presence/absence of ACPA, RF, other autoantibodies, or "any autoantibody" in anti-CCP2-negative RA.
Additional file 7: Supplementary Table 6. Associations between different ACPA fine-specificities ... more Additional file 7: Supplementary Table 6. Associations between different ACPA fine-specificities and HLA-DRB1 SE, in anti-CCP2-positive and anti-CCP2-negative RA. Odds ratios with 95% confidence intervals are shown for associations between HLA-DRB1 SE and presence/absence of 19 different ACPA fine-specificities, in anti-CCP2-positive and -negative RA: p-values indicate differences in ORs between ACPA fine-specificity-positive and -negative subsets in the anti-CCP2-positive subset.
Additional file 2: Supplementary Table 2. Other (non-citrullinated) autoantigens on the multiplex... more Additional file 2: Supplementary Table 2. Other (non-citrullinated) autoantigens on the multiplex microarray. The table lists the other antigens used on the multiplex microarray, including name, protein of origin, and major associated disease(s).
Additional file 3: Supplementary Table 3. Baseline characteristics in CCP2-positive and -negative... more Additional file 3: Supplementary Table 3. Baseline characteristics in CCP2-positive and -negative RA. The table show baseline characteristics for the EIRA patients included in the study, based on anti-CCP2 IgG status; p-values indicate differences between subsets with respect to: age, female-to-male ratio, number of smokers, HLA-DRB1 SE-positivity, PTPN22-positivity, DAS28 and CRP.
Additional file 5: Supplementary Table 4. Other autoantibodies in anti-CCP2-positive and -negativ... more Additional file 5: Supplementary Table 4. Other autoantibodies in anti-CCP2-positive and -negative RA and controls. Frequencies of 17 other autoantibodies in anti-CCP2-positive RA, anti-CCP2-negative RA and controls are shown, as well as median antibody levels in anti-CCP2-positive and -negative RA (p-values indicate differences between anti-CCP2-negative and anti-CCP2-positive RA subsets).
Additional file 1: Supplementary Table 1. Citrullinated peptide antigens on the multiplex microar... more Additional file 1: Supplementary Table 1. Citrullinated peptide antigens on the multiplex microarray. The table lists citrullinated antigens used on the multiplex microarray, including name, protein of origin, and amino acid sequence, as well as references.
Supplementary tables and methods. Table S1 Îą-enolase peptide sequences. Table S2 Association bet... more Supplementary tables and methods. Table S1 Îą-enolase peptide sequences. Table S2 Association between PTPN22 polymorphism and RA in subgroups of patients, divided based on the presence/absence of anti-CEP-1 and anti-carb-CEP-1 IgG. (DOCX 22 kb)
Rheumatoid arthritis (RA) is a systemic autoimmune disease that affects approximately 1% of the p... more Rheumatoid arthritis (RA) is a systemic autoimmune disease that affects approximately 1% of the population worldwide. Despite being rather common, the etiopathology of RA remains unclear. Approximately two-thirds of patients have antibodies to citrullinated proteins (ACPAs), generally detected using the 2 generation cyclic citrullinated peptide (CCP2) ELISA. A wealth of evidence implicates ACPA in the etiology of RA: the major risk factors a group of HLA-DRB1 alleles referred to as the shared epitope (SE), and smoking have been described to associate primarily with the ACPA-positive subset of RA. Moreover, ACPAs can be detected years before clinical onset, and their presence are highly predictive of progression to RA. However, the mechanism by which ACPAs might contribute to disease, as well as the definitive in vivo target, is not understood. The aim of this thesis was therefore to better characterize the ACPA response in RA, in terms of antigen specificity, association with geneti...
Alloying has served as a powerful means for tuning the non-vanishing optical bandgap of two-dimen... more Alloying has served as a powerful means for tuning the non-vanishing optical bandgap of two-dimensional (2D) transition-metal dichalcogenides (TMDs), a family of 2D materials with optoelectronic properties covering a wide spectral window ranging from visible to near-infrared. In addition to the bandgap engineering, ‘spatial’ modulation of the composition ratio (i.e., x) in a ternary TMD alloy (e.g., MX2xX2(1-x)’; M: transition metal, X, X’: chalcogens) enables formation of lateral heterostructures with complex functionalities within the plane of 2D materials, a new asset that expands the realm of applications in which 2D materials can be incorporated. Despite several demonstrations of alloying in 2D TMDs, the phenomenologically important issue of strain development and its effect on the optical and structural properties of 2D TMD alloys is still missing. Here, we show that alloying processes induce a biaxial tensile strain that acts on the lattice of 2D TMD alloys and affect their o...
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infra... more The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and ≈25 ML models for material-property predictions in JARVIS-ML, all of which are continuously expanding. JARVIS-tools provides scripts and workflows for running and analyzing various simulations. We compare our computational data to experiments or high-fidelity computational methods wherev...
Electrically conductive metal−organic frameworks (cMOFs) have become a topic of intense interest ... more Electrically conductive metal−organic frameworks (cMOFs) have become a topic of intense interest in recent years because of their great potential in electrochemical energy storage, electrocatalysis, and sensing applications. Most of the cMOFs reported hitherto are 2D structures, and 3D cMOFs remain rare. Herein we report FeTHQ, a 3D cMOF synthesized from tetrahydroxy-1,4-quinone (THQ) and iron(II) sulfate salt. FeTHQ exhibited a conductivity of 3.3 ± 0.55 mS cm −1 at 300 K, which is high for 3D cMOFs. The conductivity of FeTHQ is valence-dependent. A higher conductivity was measured with the as-prepared FeTHQ than with the air-oxidized and sodium naphthalenide-reduced samples.
Background Rheumatoid arthritis (RA) is classified as seropositive or seronegative, depending on ... more Background Rheumatoid arthritis (RA) is classified as seropositive or seronegative, depending on the presence/absence of rheumatoid factor (RF), primarily IgM RF, and/or anti-citrullinated protein antibodies (ACPA), commonly detected using anti-cyclic citrullinated peptide (CCP) assays. Known risk factors associate with the more severe seropositive form of RA; less is known about seronegative RA. Here, we examine risk factors and clinical phenotypes in relation to presence of autoantibodies in the RA subset that is traditionally defined as seronegative. Methods Anti-CCP2 IgG, 19 ACPA fine-specificities, IgM/IgG/IgA RF, anti-carbamylated-protein (CarP) antibodies, and 17 other autoantibodies, were analysed in 2755 RA patients and 370 controls. Antibody prevalence, levels, and co-occurrence were examined, and associations with risk factors and disease activity during 5 years were investigated for different antibody-defined RA subsets. Results Autoantibodies were detected in a substant...
In this work, we present a high-throughput first-principles study of elastic properties of bulk a... more In this work, we present a high-throughput first-principles study of elastic properties of bulk and monolayer materials mainly using the vdW-DF-optB88 functional. We discuss the trends on the elastic response with respect to changes in dimensionality. We identify a relation between exfoliation energy and elastic constants for layered materials that can help to guide the search for vdW bonding in materials. We also predicted a few novel materials with auxetic behavior. The uncertainty in structural and elastic properties due to the inclusion of vdW interactions is discussed. We investigated 11,067 bulk and 257 monolayer materials. Lastly, we found that the trends in elastic constants for bulk and their monolayer counterparts can be very different. All the computational results are made publicly available at easy-to-use websites: https://www.ctcms.nist.gov/~knc6/JVASP.html and https://jarvis.nist.gov/. Our dataset can be used to identify stiff and flexible materials for industrial applications. Introduction: Mechanical properties describe the response of a material to deformation and are important characteristics in describing solids. From an atomistic perspective, elasticity arises from interatomic bonding and bonding environments. The elastic tensor (ET) [1] is a key property for
Ultrathin nanowires with <3 nm diameter have long been sought for novel properties that emerge... more Ultrathin nanowires with <3 nm diameter have long been sought for novel properties that emerge from dimensional constraint as well as for continued size reduction and performance improvement of nanoelectronic devices. Here, we report on a facile and large-scale synthesis of a new class of electrically conductive ultrathin core-shell nanowires using benzenethiols. Core-shell nanowires are atomically precise and have inorganic five-atom copper-sulfur cross-sectional cores encapsulated by organic shells encompassing aromatic substituents with ring planes oriented parallel. The exact nanowire atomic structures were revealed via a two-pronged approach combining computational methods coupled with experimental synthesis and advanced characterizations. Core-shell nanowires were determined to be indirect bandgap materials with a predicted room-temperature resistivity of ∼120 Ω·m. Nanowire morphology was found to be tunable by changing the interwire interactions imparted by the functional ...
The second generation anticycliccitrullinated peptide (anti-CCP2) assay detects the majority but ... more The second generation anticycliccitrullinated peptide (anti-CCP2) assay detects the majority but not all anticitrullinated protein/peptide antibodies (ACPA). Anti-CCP2-positive rheumatoid arthritis (RA) is associated with HLA-DRB1* shared epitope (SE) alleles and smoking. Using a multiplex assay to detect multiple specific ACPA, we have investigated the fine specificity of individual ACPA responses and the biological impact of additional ACPA reactivity among anti-CCP2-negative patients. We investigated 2825 patients with RA and 551 healthy controls with full data on anti-CCP2, HLA-DRB1* alleles and smoking history concerning reactivity against 16 citrullinated peptides and arginine control peptides with a multiplex array. The prevalence of the 16 ACPA specificities ranged from 9% to 58%. When reactivity to arginine peptides was subtracted, the mean diagnostic sensitivity increased by 3.2% with maintained 98% specificity. Of the anti-CCP2-negative patients, 16% were found to be ACPA...
Modulation of weak interlayer interactions between quasi-two-dimensional atomic planes in the tra... more Modulation of weak interlayer interactions between quasi-two-dimensional atomic planes in the transition metal dichalcogenides (TMDCs) provides avenues for tuning their functional properties. Here we show that above-gap optical excitation in the TMDCs leads to an unexpected large-amplitude, ultrafast compressive force between the two-dimensional layers, as probed by in-situ measurements of the atomic layer spacing at femtosecond time resolution. We show that this compressive response arises from a dynamic modulation of the interlayer van der Waals interaction and that this represents the dominant light-induced stress at low excitation densities. A simple analytic model predicts the magnitude and carrier density dependence of the measured strains. This work establishes a new method for dynamic, non-equilibrium tuning of correlation-driven dispersive interactions and of the optomechanical functionality of TMDC quasi-two-dimensional materials.
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Papers by Evan Reed